NR2E3

Reference Set (129 Compounds)

COC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@]21O ZINC000002465943

ZINC000002465943 (search)

C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O ZINC000094437777

ZINC000094437777 (search)

Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc2ccccc2o1 ZINC000001074885

ZINC000001074885 (search)

Cc1ccc(-c2cc(-c3ccc(F)cc3)nc3ncnc(N)c23)cc1 ZINC000001016765

ZINC000001016765 (search)

Cc1ccc(-c2cc(-c3ccccc3)c3c(N)ncnc3n2)cc1 ZINC000001036692

ZINC000001036692 (search)

COC(=O)c1cc2n3ccccc3c(C)c(-c3ccccc3)c-2c1C(=O)OC ZINC000000643146

ZINC000000643146 (search)

COc1ccc(-c2cc(-c3ccccc3)c3c(N)ncnc3n2)cc1 ZINC000000131450

ZINC000000131450 (search)

COC(=O)c1c(Cl)c2n3ccccc3c(C)c(-c3ccccc3)c-2c1C(=O)OC ZINC000001017363

ZINC000001017363 (search)

CCCCOc1ccc(-c2c(C#N)c(S)nc(C)c2C(=O)Nc2ccccc2)cc1 ZINC000013685366

ZINC000013685366 (search)

COC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@]21O ZINC000004270574

ZINC000004270574 (search)

Cc1ccc(NC(=O)CSc2nc3ccccc3c3nc(CCc4c(C)n[nH]c4C)nn23)cc1F ZINC000002969687

ZINC000002969687 (search)

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000000158170

ZINC000000158170 (search)

C=CCn1c(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)nnc1-c1ccccc1 ZINC000002088584

ZINC000002088584 (search)

Cc1nc2ccc3nc(NC(=O)c4ccc5c(c4)OCCO5)sc3c2s1 ZINC000002483658

ZINC000002483658 (search)

COc1ccc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1 ZINC000003899344

ZINC000003899344 (search)

Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)O ZINC000000218826

ZINC000000218826 (search)

CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000006552723

ZINC000006552723 (search)

C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)NCCc1ccccc1 ZINC000002876610

ZINC000002876610 (search)

Cc1ccc(-c2c3c([nH]c(=S)c2C#N)CCCC3)o1 ZINC000000278765

ZINC000000278765 (search)

Cc1cccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)n1 ZINC000004004568

ZINC000004004568 (search)

Cc1cc(Br)c2nc3c(c(C(=O)O)c2c1)CCCCC3 ZINC000000617006

ZINC000000617006 (search)

Brc1cc(Br)c2ncnc(N3CCCCC3)c2c1 ZINC000002374890

ZINC000002374890 (search)

O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1 ZINC000010186641

ZINC000010186641 (search)

COc1ccc(-n2nc(C(=O)NCC(=O)NCc3ccc(F)cc3)c3ccccc3c2=O)cc1OC ZINC000009776209

ZINC000009776209 (search)

CCOC(=O)Cn1c(=S)[nH]c2c(oc3ccc(Cl)cc32)c1=O ZINC000100506776

ZINC000100506776 (search)

O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc2c(c1)OCCO2 ZINC000000911477

ZINC000000911477 (search)

O=C(O)c1cc(-c2cccnc2)nc2ccc(Br)cc12 ZINC000000068136

ZINC000000068136 (search)

CC(C)c1nc2sc3c(=O)[nH]c(=S)[nH]c3c2c2c1CCCC2 ZINC000017822602

ZINC000017822602 (search)

COc1ccc(-n2nc3c(N4CCC(C(=O)NCc5ccccc5C)CC4)nnc(C)c3c2C)cc1 ZINC000008594395

ZINC000008594395 (search)

COc1cccc(NC(=S)Nc2cc(C)cc(C)n2)c1 ZINC000013659077

ZINC000013659077 (search)

O=c1c2oc3ccccc3c2[nH]c(=S)n1-c1ccc(F)cc1 ZINC000100530385

ZINC000100530385 (search)

COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1 ZINC000002508648

ZINC000002508648 (search)

COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000000578761

ZINC000000578761 (search)

COc1ccc(-n2c(=S)[nH]c3c(oc4ccccc43)c2=O)cc1 ZINC000100530356

ZINC000100530356 (search)

Cc1c(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cccc1-c1nc2ncccc2o1 ZINC000006428461

ZINC000006428461 (search)

CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1 ZINC000008829890

ZINC000008829890 (search)

O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccco1 ZINC000004176322

ZINC000004176322 (search)

Cc1cc2c(s1)c1cnn(CC(=O)NCCc3ccccc3)c(=O)c1n2C ZINC000001350597

ZINC000001350597 (search)

Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2ccccc2o1 ZINC000001074888

ZINC000001074888 (search)

O=C(CSc1ccc(-c2cccs2)nn1)N1CCCCC1 ZINC000006858798

ZINC000006858798 (search)

Fc1ccc(CNc2nc3ccccc3n3cnnc23)cc1 ZINC000004622491

ZINC000004622491 (search)

COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2ccc3nncn3n2)c1 ZINC000004377087

ZINC000004377087 (search)

Cc1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nc2c1 ZINC000001117440

ZINC000001117440 (search)

Cc1ccc(-c2cc(C(=O)NCc3cnn(C)c3)c3cc(Br)ccc3n2)cc1 ZINC000002503255

ZINC000002503255 (search)

O=c1c2oc3ccccc3c2[nH]c(=S)n1-c1ccccc1 ZINC000100530351

ZINC000100530351 (search)

O=c1[nH]c2c(s1)C=Nc1ccccc1N2 ZINC000100639257

ZINC000100639257 (search)

O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc(Cl)nc1 ZINC000004063052

ZINC000004063052 (search)

COc1ccc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)nn1 ZINC000005259595

ZINC000005259595 (search)

COc1cccc2sc(NC(=O)c3ccc(Br)s3)nc12 ZINC000006378539

ZINC000006378539 (search)

CSc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c[nH]2)c1 ZINC000006893647

ZINC000006893647 (search)

O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(Br)o1 ZINC000000912886

ZINC000000912886 (search)

CC(=O)c1ccc(NC(=O)CSc2ccc(-c3ccc4c(c3)OCO4)nn2)cc1 ZINC000004356597

ZINC000004356597 (search)

O=C(Nc1ccc(-c2ccc3nncn3n2)cc1)c1ccc(Br)o1 ZINC000004377133

ZINC000004377133 (search)

COc1ccc(N2CCN(CC(=O)Nc3ccccc3C(=O)NCc3ccccc3)CC2)cc1 ZINC000058172405

ZINC000058172405 (search)

O=C(CCCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(C(=O)c2ccco2)CC1 ZINC000004004402

ZINC000004004402 (search)

Cn1c(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)nnc1-c1ccccc1 ZINC000001174892

ZINC000001174892 (search)

Cc1ccccc1CNc1ncnc2cc(Cl)ccc12 ZINC000001405676

ZINC000001405676 (search)

Cc1cccc(C)c1NC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C ZINC000004520552

ZINC000004520552 (search)

O=C(Nc1nccs1)c1cc(-c2ccccn2)nc2c(Cl)cccc12 ZINC000002868119

ZINC000002868119 (search)

N#Cc1ccc(CSc2nnc(NC(=O)c3ccc4ncsc4c3)s2)cc1 ZINC000003335903

ZINC000003335903 (search)

Cn1nc(-c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c2ccccc2c1=O ZINC000001114511

ZINC000001114511 (search)

Cc1sc2ncnc(SCC(=O)NC(=O)c3cccn3C)c2c1C ZINC000003355481

ZINC000003355481 (search)

Cc1cc(C)c2c(C)c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)oc2c1 ZINC000000634049

ZINC000000634049 (search)

Cc1ccc(-n2c(=S)[nH]c3c(oc4ccccc43)c2=O)cc1C ZINC000100530346

ZINC000100530346 (search)

Cc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1 ZINC000000192141

ZINC000000192141 (search)

O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000000755335

ZINC000000755335 (search)

CC1(C)Cc2ccccc2-c2nnc(SCC(=O)N3CCc4ccccc43)n21 ZINC000000892090

ZINC000000892090 (search)

N#CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000032876766

ZINC000032876766 (search)

CC(=O)c1sc(NC(=O)CCCOc2ccc(Cl)cc2)nc1C ZINC000001903886

ZINC000001903886 (search)

O=C(CSc1ccc(-c2cccs2)nn1)N1CCCCCC1 ZINC000006858802

ZINC000006858802 (search)

O=C(COc1ccc2ccccc2c1)NCCNC(=O)COc1ccc2ccccc2c1 ZINC000002131936

ZINC000002131936 (search)

Cc1ccc(-n2c(=S)[nH]c3c(oc4ccccc43)c2=O)cc1 ZINC000100530342

ZINC000100530342 (search)

NC(=O)c1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000015498402

ZINC000015498402 (search)

COc1cccc(-c2csc3nnc(SCC(=O)c4ccc(NC(C)=O)cc4)n23)c1 ZINC000004388666

ZINC000004388666 (search)

COc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)c(Cl)c1 ZINC000000666410

ZINC000000666410 (search)

Cc1cccc(-n2c(=S)[nH]c3c(oc4ccccc43)c2=O)c1 ZINC000100505886

ZINC000100505886 (search)

O=C(Nc1ccnc(-c2cccnc2)n1)c1ccc(Cl)cc1 ZINC000001403176

ZINC000001403176 (search)

COc1cc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)cc(OC)c1 ZINC000001332665

ZINC000001332665 (search)

O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccccc1 ZINC000003239995

ZINC000003239995 (search)

Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)o1 ZINC000000632750

ZINC000000632750 (search)

CC[C@@]1(C)Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c21 ZINC000017194830

ZINC000017194830 (search)

COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1OC ZINC000000624177

ZINC000000624177 (search)

COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OC)c(CSc3ccccn3)c2)cc1 ZINC000008665997

ZINC000008665997 (search)

O=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1nccs1 ZINC000000779952

ZINC000000779952 (search)

CC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)cc1 ZINC000023153802

ZINC000023153802 (search)

Cc1ccc2[nH]c(CCN(C)C)c(CN3CCOCC3)c2c1 ZINC000000098712

ZINC000000098712 (search)

Cc1cc(=O)oc2cc(OCC(=O)NCCc3c[nH]c4ccc(F)cc34)ccc12 ZINC000006662383

ZINC000006662383 (search)

O=C(Cc1ccccc1)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000000053301

ZINC000000053301 (search)

CCc1c(C(=O)O)[nH]c2ccc(Br)cc12 ZINC000000551694

ZINC000000551694 (search)

O=C(Nc1cccc(-n2cnnn2)c1)c1cc2ccccc2o1 ZINC000005485432

ZINC000005485432 (search)

Cc1cccc(OCc2nnc(SCC(=O)NC3CCCC3)n2C)c1 ZINC000000912389

ZINC000000912389 (search)

CCOCCCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc12 ZINC000009673348

ZINC000009673348 (search)

O=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc(Br)o1 ZINC000010186663

ZINC000010186663 (search)

COc1ccc(-c2ccc(SCC(=O)Nc3nccs3)nn2)cc1OC ZINC000005107801

ZINC000005107801 (search)

Cc1csc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)n1 ZINC000002630263

ZINC000002630263 (search)

CCn1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O ZINC000000132459

ZINC000000132459 (search)

COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cn2)cc1 ZINC000001358521

ZINC000001358521 (search)

Cc1c(Br)ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)c1C ZINC000009592029

ZINC000009592029 (search)

Cc1ccc2oc(=O)cc(CN3CCCCC3)c2c1 ZINC000002125002

ZINC000002125002 (search)

COc1ccc(-c2oc3ncn4nc(Cc5ccccc5)nc4c3c2-c2ccc(OC)cc2)cc1 ZINC000002263039

ZINC000002263039 (search)

CC(=O)c1ccc(-c2ccc(C(=O)Nc3nc(C)c(C(C)=O)s3)o2)cc1 ZINC000003357133

ZINC000003357133 (search)

N#CC(C#N)=C1NC(N)=C(C#N)C(c2ccccc2)=C1C#N ZINC000000494354

ZINC000000494354 (search)

Cc1c(C(=O)Nc2ccc(-n3cnnn3)cc2)oc2ccccc12 ZINC000000414660

ZINC000000414660 (search)

O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NCC(F)(F)F ZINC000002624002

ZINC000002624002 (search)

O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ccccn2)s1 ZINC000000124742

ZINC000000124742 (search)

CC1(C)Cc2c(sc(NC(=O)COc3cccc4ccccc34)c2C#N)C(C)(C)N1 ZINC000001259959

ZINC000001259959 (search)

CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000002940521

ZINC000002940521 (search)

O=C(CSc1ccc(-c2cccs2)nn1)c1cccs1 ZINC000004357916

ZINC000004357916 (search)

CN1CCSc2ccc(C(=O)Nc3ccc(Cl)cc3)cc21 ZINC000003030570

ZINC000003030570 (search)

O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccs4)cc3[nH]2)cc1)c1cccs1 ZINC000008671257

ZINC000008671257 (search)

O=C(NCc1ccccn1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000003133279

ZINC000003133279 (search)

O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CC4)ccc3[nH]2)cc1)c1ccccc1Cl ZINC000034892353

ZINC000034892353 (search)

CC(C)C(=O)Nc1ccc2[nH]c(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nc2c1 ZINC000038147884

ZINC000038147884 (search)

O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3[nH]2)cc1)c1ccccc1F ZINC000038147876

ZINC000038147876 (search)

Cc1ccccc1C(=O)Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3[nH]2)cc1 ZINC000038147875

ZINC000038147875 (search)

O=C(Nc1ccc(-c2nc3cc(NC(=O)[C@@H]4C[C@H]4F)ccc3[nH]2)cc1)c1ccccc1Cl ZINC000038147880

ZINC000038147880 (search)

O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3[nH]2)cc1)c1ccccc1 ZINC000038147872

ZINC000038147872 (search)

O=C(Nc1ccc(-c2nc3cc(NC(=O)C4(c5ccccc5)CC4)ccc3[nH]2)cc1)c1ccccc1Cl ZINC000038147886

ZINC000038147886 (search)

O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCC4)ccc3[nH]2)cc1)c1ccccc1Cl ZINC000038147883

ZINC000038147883 (search)

O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCC4)ccc3[nH]2)cc1)c1ccccc1Cl ZINC000038147882

ZINC000038147882 (search)

O=C(Nc1ccc(-c2nc3cc(NC(=O)[C@@H]4CC4(F)F)ccc3[nH]2)cc1)c1ccccc1Cl ZINC000038147878

ZINC000038147878 (search)

O=C(Nc1ccc2[nH]c(-c3ccc(NC(=O)c4cccnc4Cl)cc3)nc2c1)c1ccccc1Cl ZINC000038147873

ZINC000038147873 (search)

CC1(C(=O)Nc2ccc3[nH]c(-c4ccc(NC(=O)c5ccccc5Cl)cc4)nc3c2)CC1 ZINC000038147877

ZINC000038147877 (search)

CC(C)(C)C(=O)Nc1ccc2[nH]c(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nc2c1 ZINC000038147881

ZINC000038147881 (search)

O=C(Nc1cccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3[nH]2)c1)c1ccccc1Cl ZINC000038147874

ZINC000038147874 (search)

O=C(Nc1ccc2[nH]c(-c3cnn(-c4ccc(F)cc4)c3)nc2c1)c1ccccc1Cl ZINC000038147889

ZINC000038147889 (search)

O=C(Nc1ccc2nc(-c3cc(Cl)cc(Cl)c3O)[nH]c2c1)c1ccccc1Cl ZINC000038147888

ZINC000038147888 (search)

O=C(Nc1ccc2[nH]c(-c3ccc4c(c3)OCO4)nc2c1)c1ccccc1Cl ZINC000038147885

ZINC000038147885 (search)

N#CC1(C(=O)Nc2ccc3[nH]c(-c4ccc(NC(=O)c5ccccc5Cl)cc4)nc3c2)CC1 ZINC000038147887

ZINC000038147887 (search)