ALDH1A1

Reference Set (52 Compounds)

CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccccn2)c2ccccc21 ZINC000001157177

ZINC000001157177 (search)

CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccncc2)c2ccccc21 ZINC000001149761

ZINC000001149761 (search)

Cc1ccc(S(=O)(=O)N[C@H](O)C(=O)c2cccs2)cc1 ZINC000000216024

ZINC000000216024 (search)

O=C(N[C@@H](O)C(=O)c1cccs1)c1ccncc1 ZINC000000216030

ZINC000000216030 (search)

O=C(N[C@H](O)C(=O)c1cccs1)c1cccnc1 ZINC000002699740

ZINC000002699740 (search)

CCn1c(-c2ccc(OC)c(F)c2)cs/c1=N/c1ccccc1 ZINC000100061704

ZINC000100061704 (search)

O=C1Nc2ccccc2[C@]12Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 ZINC000001093174

ZINC000001093174 (search)

CCSc1nnc2c(n1)O[C@H](C(=O)c1ccc(OC)cc1)Nc1ccccc1-2 ZINC000001168859

ZINC000001168859 (search)

CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(NC(=O)C(C)C)cc2)c([N+](=O)[O-])c1 ZINC000018901469

ZINC000018901469 (search)

O=C1C(=O)N(Cc2ccccc2)c2ccccc21 ZINC000001657402

ZINC000001657402 (search)

CCCCCN1C(=O)C(=O)c2ccccc21 ZINC000001793680

ZINC000001793680 (search)

O=C1C(=O)N(CCCc2ccccc2)c2ccccc21 ZINC000002983461

ZINC000002983461 (search)

CCN(CC)c1ccc(C=O)cc1 ZINC000000157147

ZINC000000157147 (search)

O=C1C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 ZINC000002482985

ZINC000002482985 (search)

O=C1C(=O)N(CCc2ccccc2)c2ccccc21 ZINC000002268444

ZINC000002268444 (search)

O=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 ZINC000002491410

ZINC000002491410 (search)

O=C1C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21 ZINC000002488440

ZINC000002488440 (search)

CC(C)CCn1c(CN2CCC(C(N)=O)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000002440212

ZINC000002440212 (search)

Cc1oc2cc3oc(=O)c4c(c3cc2c1C)CCCC4 ZINC000000407801

ZINC000000407801 (search)

Cc1oc2cc3oc(=O)c(CCC(=O)N4CCCCC4)c(C)c3cc2c1C ZINC000004743756

ZINC000004743756 (search)

Cc1oc2cc3oc(=O)c4c(c3cc2c1C)CCC4 ZINC000000095218

ZINC000000095218 (search)

CCCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O ZINC000000095245

ZINC000000095245 (search)

CCOC(=O)CSc1nc2c(sc3ccccc32)c(=O)n1CCCN1CCCC1 ZINC000002962002

ZINC000002962002 (search)

Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2CCCc2ccccc2)n(C)c1=O ZINC000002201160

ZINC000002201160 (search)

Cc1cccc(Cn2c(CN3CCN(C(=O)c4ccco4)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000020533434

ZINC000020533434 (search)

Cc1cc(Br)c2c(c1)C(=O)C(=O)N2 ZINC000002977810

ZINC000002977810 (search)

CCCc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000000095243

ZINC000000095243 (search)

O=C1C(=O)N(C/C=C/c2ccccc2)c2ccc(Cl)cc21 ZINC000019966934

ZINC000019966934 (search)

O=C1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 ZINC000001853557

ZINC000001853557 (search)

Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000103225944

ZINC000103225944 (search)

CC(C)CCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020533290

ZINC000020533290 (search)

CCN(CC)c1ccc2c(C)cc(=O)oc2c1 ZINC000000057145

ZINC000000057145 (search)

CC(C)CCn1c(CN2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000013815782

ZINC000013815782 (search)

COc1ccc(C(=O)CSC#N)cc1OC ZINC000002812364

ZINC000002812364 (search)

COc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1 ZINC000000223900

ZINC000000223900 (search)

Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000103225954

ZINC000103225954 (search)

Cc1cccc(-n2cnc3cc(C(=O)N4CCCC(C)(C)C4)ccc32)c1 ZINC000103226020

ZINC000103226020 (search)

O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCCCC1 ZINC000103226049

ZINC000103226049 (search)

O=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 ZINC000002941174

ZINC000002941174 (search)

Cc1ccc(Cn2c(CN3CCN(c4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000057122070

ZINC000057122070 (search)

Cc1ccc(-n2c(C)cc(-c3nnc4n3CCCCC4)c2C)cc1 ZINC000103225960

ZINC000103225960 (search)

O=C(c1ccc2c(c1)ncn2-c1cccc(C(F)(F)F)c1)N1CCCCC1 ZINC000103226054

ZINC000103226054 (search)

Cc1c(Cc2ccccc2)c(=O)oc2cc(OS(C)(=O)=O)ccc12 ZINC000003131800

ZINC000003131800 (search)

CC(C)CCn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000005789651

ZINC000005789651 (search)

O=C1C(=O)N(CN2CCN(Cc3ccccc3F)CC2)c2ccccc21 ZINC000020045190

ZINC000020045190 (search)

Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1cccc(Cl)c1 ZINC000103225947

ZINC000103225947 (search)

CCCCn1c(Oc2ccc(C(=O)OC)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000013153936

ZINC000013153936 (search)

CC(C)CCn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000013136155

ZINC000013136155 (search)

CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)c2ccccc2)CC1 ZINC000022923893

ZINC000022923893 (search)

Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1cccc(C#N)c1 ZINC000103225962

ZINC000103225962 (search)

Cc1cc(=O)oc2cc(OCC#N)ccc12 ZINC000001896423

ZINC000001896423 (search)

CC[C@@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 ZINC000004930129

ZINC000004930129 (search)