Itpkb

Reference Set (89 Compounds)

C[C@@H]1CN(Cc2c[nH]nc2-c2c[nH]c(C(N)=O)c2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115164468

ZINC000115164468 (search)

NC(=O)c1c[nH]c(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C(F)(F)F)C2)c1 ZINC000115172553

ZINC000115172553 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2cc(C(N)=O)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115169034

ZINC000115169034 (search)

C[C@@H](CO)NC(=O)c1c[nH]c(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)c1 ZINC000115168697

ZINC000115168697 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2c[nH]c(C#N)c2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115172934

ZINC000115172934 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(C(N)=O)o2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115167226

ZINC000115167226 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2cc(C#N)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115172520

ZINC000115172520 (search)

N#Cc1c[nH]c(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C(F)(F)F)C2)c1 ZINC000115172651

ZINC000115172651 (search)

C[C@@H]1CN(Cc2c[nH]nc2C2=CCN(C=O)CC2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115170938

ZINC000115170938 (search)

CNC(=O)c1c[nH]c(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)c1 ZINC000115169831

ZINC000115169831 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3cnccc3c2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115169970

ZINC000115169970 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2cc(C(=O)NCCO)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115167702

ZINC000115167702 (search)

C[C@@H](O)CNC(=O)c1c[nH]c(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)c1 ZINC000149806264

ZINC000149806264 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2nc(C(N)=O)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115170141

ZINC000115170141 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(C(N)=O)[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115172025

ZINC000115172025 (search)

C[C@@H]1CN(Cc2n[nH]nc2-c2ccc(C#N)cc2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115173998

ZINC000115173998 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(C#N)c(=O)[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115170448

ZINC000115170448 (search)

CC(=O)N1CC=C(c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)CC1 ZINC000115172996

ZINC000115172996 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2cc(C(N)=O)co2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115166750

ZINC000115166750 (search)

C[C@@H]1CN(Cc2c[nH]nc2C2=CCN(C(=O)CCO)CC2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115173346

ZINC000115173346 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(C#N)[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115167570

ZINC000115167570 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2cc(C(=O)N(C)C)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115170246

ZINC000115170246 (search)

$C[C@@H]1CN(Cc2c[nH]nc2/C=C2\NC(=N)NC2=O)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115172656$

ZINC000115172656 (search)

O=C1NCc2cc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)C4(CC4)C3)ccc2O1 ZINC000143812349

ZINC000143812349 (search)

O=C1NCc2cc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)C[C@H]3C(=O)O)ccc2O1 ZINC000143831512

ZINC000143831512 (search)

C[C@@H]1CN(Cc2cn[nH]c2-c2ccc3c(c2)CNC(=O)O3)CCN1C1CCCCC1 ZINC000143831988

ZINC000143831988 (search)

C[C@@H]1CN(Cc2cn[nH]c2-c2ccc3[nH]c(=O)oc3c2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000143832237

ZINC000143832237 (search)

C[C@@H]1CN(Cc2cn[nH]c2-c2ccc3c(c2)CNC(=O)O3)CCN1Cc1ccccc1F ZINC000143868484

ZINC000143868484 (search)

C[C@H]1CN(Cc2cn[nH]c2-c2ccc3[nH]c(=O)oc3c2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000143868976

ZINC000143868976 (search)

O=c1[nH]c(=O)c2cc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2o1 ZINC000143984004

ZINC000143984004 (search)

C[C@H]1CN(Cc2cn[nH]c2-c2ccc3oc(=O)[nH]c(=O)c3c2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000143984241

ZINC000143984241 (search)

C[C@@H]1CN(Cc2cn[nH]c2-c2ccc3oc(=O)[nH]c(=O)c3c2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000144000075

ZINC000144000075 (search)

C[C@H]1CN(Cc2cn[nH]c2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(C(F)(F)F)cn1 ZINC000144000313

ZINC000144000313 (search)

O=C1NCc2cc(-c3[nH]ncc3CN3CCCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2O1 ZINC000144000528

ZINC000144000528 (search)

C[C@@H]1CN(Cc2cn[nH]c2-c2ccc3c(c2)CNC(=O)C3)CCN1c1ccc(C(F)(F)F)cn1 ZINC000144000763

ZINC000144000763 (search)

C[C@@H]1CN(Cc2cn[nH]c2-c2ccc3c(c2)C(=O)NC(=O)C3)CCN1c1ccc(C(F)(F)F)cn1 ZINC000144000974

ZINC000144000974 (search)

O=C1NCc2cc(-c3[nH]ncc3CN3CCCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2N1 ZINC000144016088

ZINC000144016088 (search)

O=C1Cc2ccc(-c3[nH]ncc3CN3CCCN(c4ccc(C(F)(F)F)cn4)CC3)cc2CN1 ZINC000144016326

ZINC000144016326 (search)

O=C1NCc2cc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@H](C(F)(F)F)C3)ccc2O1 ZINC000144016831

ZINC000144016831 (search)

O=C1NCc2cc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2O1 ZINC000144017062

ZINC000144017062 (search)

O=C1NCc2cc(-c3[nH]ncc3CN3[C@H]4C[C@H]3CN(c3ccc(C(F)(F)F)cn3)C4)ccc2O1 ZINC000144035834

ZINC000144035834 (search)

O=C1NCc2cc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C(F)(F)F)ccc2O1 ZINC000144036097

ZINC000144036097 (search)

O=C1NCc2cc(-c3[nH]ncc3CN3[C@H]4CC[C@H]3CN(c3ccc(C(F)(F)F)cn3)C4)ccc2O1 ZINC000144036781

ZINC000144036781 (search)

O=c1[nH]c(=O)c2cc(-c3[nH]ncc3CN3[C@H]4CC[C@H]3CN(c3ccc(C(F)(F)F)cn3)C4)ccc2o1 ZINC000144037441

ZINC000144037441 (search)

Cc1cccc(N2CCN(Cc3cn[nH]c3-c3ccc4oc(=O)[nH]c(=O)c4c3)CC2)c1C ZINC000144037664

ZINC000144037664 (search)

Cc1cccc(N2CCN(Cc3cn[nH]c3-c3ccc4[nH]c(=O)oc4c3)CC2)c1C ZINC000144050558

ZINC000144050558 (search)

O=C1NCc2cc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@@H](C(F)(F)F)C3)ccc2O1 ZINC000144050805

ZINC000144050805 (search)

O=C1NCc2cc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@H](CO)C3)ccc2O1 ZINC000144051036

ZINC000144051036 (search)

C[C@@H]1CN(Cc2cn[nH]c2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(C(F)(F)F)cn1 ZINC000144069190

ZINC000144069190 (search)

O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)C[C@H]3CO)ccc2O1 ZINC000148674422

ZINC000148674422 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)N3)CCN1c1ccc(C(F)(F)F)cn1 ZINC000148685071

ZINC000148685071 (search)

O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@H](CF)C3)ccc2O1 ZINC000148686290

ZINC000148686290 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(C(F)(F)F)cc1 ZINC000148687534

ZINC000148687534 (search)

Cc1ccc(N2CCN(Cc3c[nH]nc3-c3ccc4c(c3)CNC(=O)O4)C[C@H]2C)nc1 ZINC000148688055

ZINC000148688055 (search)

O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)C[C@H]3CF)ccc2O1 ZINC000148693168

ZINC000148693168 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1cccc(C(F)(F)F)c1 ZINC000148694243

ZINC000148694243 (search)

C[C@@H]1CN(Cc2n[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(C(F)(F)F)cn1 ZINC000148695472

ZINC000148695472 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1nccc(C(F)(F)F)n1 ZINC000148732186

ZINC000148732186 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(C#N)cn1 ZINC000148738643

ZINC000148738643 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)C(C)(C)NC(=O)O3)CCN1c1ccc(C(F)(F)F)cn1 ZINC000148754999

ZINC000148754999 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1cc(C#N)ccn1 ZINC000148772200

ZINC000148772200 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(Cl)cc1 ZINC000148791335

ZINC000148791335 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3oc(=O)[nH]c3c2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000148793205

ZINC000148793205 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(Cl)cn1 ZINC000148806634

ZINC000148806634 (search)

O=C1CNc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2O1 ZINC000653674077

ZINC000653674077 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2nc(C#N)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115171568

ZINC000115171568 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2c[nH]c3ncccc23)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115169413

ZINC000115169413 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2cc3ccccc3[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115175375

ZINC000115175375 (search)

C[C@@H]1CN(Cc2c[nH]nc2C2CCN(C=O)CC2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115170076

ZINC000115170076 (search)

C[C@@H]1CN(Cc2c[nH]nc2C2=CCNCC2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115171400

ZINC000115171400 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2nc3ccccc3[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115170821

ZINC000115170821 (search)

C[C@@H]1CN(Cc2c[nH]nc2C2CCNCC2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115173554

ZINC000115173554 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(C(=O)O)o2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115167333

ZINC000115167333 (search)

C[C@@H]1CN(Cc2c[nH]nc2C(=O)Nc2ccncc2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115172094

ZINC000115172094 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2nc(C(=N)N)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115172542

ZINC000115172542 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ccnc3[nH]ccc23)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115171617

ZINC000115171617 (search)

$C[C@@H]1CN(Cc2c[nH]nc2/C=C2\NC(=O)NC2=O)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115171299$

ZINC000115171299 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2nc3cnccc3[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115173216

ZINC000115173216 (search)

COC(=O)c1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)o1 ZINC000115174834

ZINC000115174834 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2cc(C(=O)O)co2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115165933

ZINC000115165933 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2ncc(-c3ccccc3)[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115172848

ZINC000115172848 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2nc(C(F)(F)F)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115168955

ZINC000115168955 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2nc3cc(C#N)ccc3[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115173548

ZINC000115173548 (search)

FC(F)(F)c1ccc(N2CCN(Cc3c[nH]nc3-c3cccs3)CC2)nc1 ZINC000115175102

ZINC000115175102 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2nc3c([nH]2)CCCC3)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115169507

ZINC000115169507 (search)

C[C@@H]1CN(Cc2c[nH]nc2C(=O)Nc2cc(-c3ccco3)n[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115172779

ZINC000115172779 (search)

Cc1cc(NC(=O)c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)n(CCN(C)C)n1 ZINC000115174078

ZINC000115174078 (search)

C[C@@H]1CN(Cc2c[nH]nc2-c2nc3cc(F)ccc3[nH]2)CCN1c1ccc(C(F)(F)F)cn1 ZINC000115165730

ZINC000115165730 (search)

Cc1cnc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)[nH]1 ZINC000115168980

ZINC000115168980 (search)