Abcb1a

Reference Set (49 Compounds)

CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000003830974

ZINC000003830974 (search)

$CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000252286706$

ZINC000252286706 (search)

COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000000601274

ZINC000000601274 (search)

CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 ZINC000003830212

ZINC000003830212 (search)

Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000003833846

ZINC000003833846 (search)

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000019796087

ZINC000019796087 (search)

CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC000000643138

ZINC000000643138 (search)

COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000003938746

ZINC000003938746 (search)

O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000004175630

ZINC000004175630 (search)

COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C ZINC000003782486

ZINC000003782486 (search)

CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 ZINC000053683151

ZINC000053683151 (search)

COc1ccc(CCN(C)CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000003812888

ZINC000003812888 (search)

$COc1cc([C@H]2Oc3cc(-c4oc5c(C/C=C(\C)CCC=C(C)C)c(O)cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000003982731$

ZINC000003982731 (search)

$COc1cc([C@@H]2Oc3cc(-c4oc5cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000029347934$

ZINC000029347934 (search)

COc1cc([C@@H]2Oc3cc(-c4oc5c(CC=C(C)C)c(O)cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000029347951

ZINC000029347951 (search)

COc1cc([C@@H]2Oc3cc(-c4oc5cc(O)c(CC=C(C)C)c(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000029347966

ZINC000029347966 (search)

COc1cc([C@@H]2Oc3cc(-c4oc5cc(O)cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000001630827

ZINC000001630827 (search)

COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1 ZINC000006411540

ZINC000006411540 (search)

COc1cc([C@@H]2Oc3cc([C@@H]4Oc5cc(O)cc(O)c5C(=O)[C@H]4O)ccc3O[C@H]2CO)ccc1O ZINC000001554609

ZINC000001554609 (search)

O=[N+]([O-])c1cccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2Cc1ccncc1 ZINC000028766581

ZINC000028766581 (search)

O=[N+]([O-])c1cccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2Cc1cccnc1 ZINC000028766346

ZINC000028766346 (search)

Cn1c2cccc(C(N)=O)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 ZINC000028766105

ZINC000028766105 (search)

CCOC(=O)n1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 ZINC000028765880

ZINC000028765880 (search)

COC(=O)c1ccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c2c1 ZINC000013559653

ZINC000013559653 (search)

O=[N+]([O-])c1cccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c12 ZINC000013559659

ZINC000013559659 (search)

NC(=O)c1cccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2Cc1ccncc1 ZINC000028765847

ZINC000028765847 (search)

CCOC(=O)Cn1c2ccc([N+](=O)[O-])cc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 ZINC000013559667

ZINC000013559667 (search)

Cn1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 ZINC000013559665

ZINC000013559665 (search)

Cc1nccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2C ZINC000013559677

ZINC000013559677 (search)

Cn1c2ccnc(Cl)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 ZINC000013559670

ZINC000013559670 (search)

CN(C)c1nccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2C ZINC000013559673

ZINC000013559673 (search)

O=[N+]([O-])c1ccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c2c1 ZINC000013559650

ZINC000013559650 (search)

CNc1nccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2C ZINC000013559674

ZINC000013559674 (search)

Cn1c2nccc(C(N)=O)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 ZINC000028764700

ZINC000028764700 (search)

COCc1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2c(n1)c1c(Cl)nccc1n2C ZINC000013559679

ZINC000013559679 (search)

Cn1c2ccnc(Cl)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 ZINC000028765396

ZINC000028765396 (search)

O=S(=O)(c1ccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c2c1)N1CCCC1 ZINC000100777188

ZINC000100777188 (search)

NC(=O)c1cccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c12 ZINC000003938328

ZINC000003938328 (search)

Cn1c2ccncc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 ZINC000013559668

ZINC000013559668 (search)

Cc1nc2c(c(C(N)=O)c1[N+](=O)[O-])c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2C ZINC000013559685

ZINC000013559685 (search)

Cn1c2cccnc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 ZINC000013559680

ZINC000013559680 (search)

Cn1c2cccc([N+](=O)[O-])c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 ZINC000013559664

ZINC000013559664 (search)

CCCCCCCCc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1 ZINC000034803711

ZINC000034803711 (search)

O=c1c(O)c(-c2ccc(I)cc2)oc2cc(O)cc(O)c12 ZINC000027861973

ZINC000027861973 (search)

O=c1c(O)c(-c2ccc(C(c3ccccc3)c3ccccc3)cc2)oc2cc(O)cc(O)c12 ZINC000027860282

ZINC000027860282 (search)

O=c1c(O)c(-c2ccc(Cl)cc2Cl)oc2cc(O)cc(O)c12 ZINC000027863894

ZINC000027863894 (search)

CN(C)c1ccc2c(-c3ccc(C(N)=O)s3)c3ccc(=[N+](C)C)cc-3sc2c1 ZINC000040951515

ZINC000040951515 (search)

O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12 ZINC000000120273

ZINC000000120273 (search)

O=c1c(O)c(-c2ccc(F)cc2)oc2cc(O)cc(O)c12 ZINC000027867694

ZINC000027867694 (search)