| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058321
BDB058321
|
BDBM50508118
CCCCc1nc(C)c(CC(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C27H28N4O5 488.544000 |
YARZBLDOERFRHE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508118; PubChem:CID137532803
|
Local ready
Direct docking supported
|
|
E3L058322
BDB058322
|
BDBM50508119
CCCCc1nc(C(C)C)c(CC(=O)OCC(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C32H38N4O5 558.679000 |
PUWFWAVQCCORSL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508119; PubChem:CID155535635
|
Local ready
Direct docking supported
|
|
E3L058323
BDB058323
|
BDBM50508120
CCCCc1nc(C(C)C)c(CC(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C29H32N4O5 516.598000 |
RESVPBYRMLCLRQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508120; PubChem:CID153392762
|
Local ready
Direct docking supported
|
|
E3L058324
BDB058324
|
BDBM50508121
CCCCc1nc(C2CC2)c(CC(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C29H30N4O5 514.582000 |
DPDJAUXJPUQWRT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508121; PubChem:CID155545395
|
Local ready
Direct docking supported
|
|
E3L058325
BDB058325
|
BDBM50508122
CCCCc1nc(C)c(CC(=O)OC2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C32H36N4O5 556.663000 |
IYCOHRXOOFVGDM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508122; PubChem:CID142534021
|
Local ready
Direct docking supported
|
|
E3L058326
BDB058326
|
BDBM50508123
CCCCc1nc(C)c(CC(=O)OC2CC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C29H30N4O5 514.582000 |
ZEEQWBJIJNUXTN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508123; PubChem:CID155522640
|
Local ready
Direct docking supported
|
|
E3L058327
BDB058327
|
BDBM50508124
CCCCc1nc(C)c(CC(=O)OCC(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
|
C30H34N4O5 530.625000 |
JADIPQJEIKUGBU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508124; PubChem:CID142534202
|
Local ready
Direct docking supported
|
|
E3L058328
BDB058328
|
BDBM50508127
CCOc1ccc(-c2ccc(CCCc3nn(-c4ccc(C(F)(F)F)cc4)c(=O)n3-c3ccccc3F)cc2)cc1CC(=O)O
|
C34H29F4N3O4 619.615000 |
YIUSVSPYCXFTHR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50508127; PubChem:CID91663316
|
Local ready
Direct docking supported
|
|
E3L058329
BDB058329
|
BDBM50508160
CC(C)(Oc1ccc(OCc2nn(-c3ccc(C(F)(F)F)cc3)c(=O)n2-c2ccccc2F)cc1)C(=O)O
|
C26H21F4N3O5 531.462000 |
IMRGJIBRAJGWKV-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50508160; PubChem:CID68588383
|
Local ready
Direct docking supported
|
|
E3L058330
BDB058330
|
BDBM50508566
Cn1c(-c2ccc(F)cc2)c(C2c3ccccc3C(=O)N2CC(=O)O)c2ccccc21
|
C25H19FN2O3 414.436000 |
OCOHWMKYWBSCIV-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50508566; PubChem:CID16483718
|
Local ready
Direct docking supported
|
|
E3L058331
BDB058331
|
BDBM50508567
O=C(O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(C(=O)O)c1
|
C14H10ClNO6S 355.755000 |
XNUMMVFWNYQDKB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50508567; PubChem:CID1025961
|
Local ready
Direct docking supported
|
|
E3L058332
BDB058332
|
BDBM50508568
O=C(O)COc1ccc(Br)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2
|
C21H20BrNO5 446.297000 |
PDRDJMMDVAHCEE-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50508568; PubChem:CID1006833
|
Local ready
Direct docking supported
|
|
E3L058333
BDB058333
|
4-(4-Butoxy-3-methylbenzenesulfonamido)benzoic acid
CCCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C
|
C18H21NO5S 363.435000 |
PYEVWZHTBYTQQI-UHFFFAOYSA-N | O14686, P61964 | WD repeat-containing protein 5, Histone-lysine N-methyltransferase 2D |
BindingDB, PubChem
BindingDB:BDBM50508569; PubChem:CID16645216
|
Local ready
Direct docking supported
|
|
E3L058334
BDB058334
|
BDBM50508570
CN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCC(=O)O)C2=C1CCCC2=O
|
C22H21Br2NO5 539.220000 |
FTNCWZXKFRDDIM-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50508570; PubChem:CID1006789
|
Local ready
Direct docking supported
|
|
E3L058335
BDB058335
|
BDBM50508571
CN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2OCC(=O)O)C2=C1CCCC2=O
|
C22H22ClNO5 415.873000 |
OJWNDLQTNXZWHJ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50508571; PubChem:CID1006808
|
Local ready
Direct docking supported
|
|
E3L058336
BDB058336
|
3-(4-Chloronaphthalene-1-sulfonamido)benzoic acid
O=C(O)c1cccc(NS(=O)(=O)c2ccc(Cl)c3ccccc23)c1
|
C17H12ClNO4S 361.806000 |
KULMRMPKELUUKN-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50508572; PubChem:CID39845125
|
Local ready
Direct docking supported
|
|
E3L058337
BDB058337
|
BDBM50508573
CCCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1C
|
C18H21NO5S 363.435000 |
GWCWFDSPSQQCSU-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50508573; PubChem:CID16645215
|
Local ready
Direct docking supported
|
|
E3L058338
BDB058338
|
BDBM50508574
CN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2OCC(=O)O)C2=C1CCCC2=O
|
C22H22BrNO5 460.324000 |
FILGLJILLSAIJW-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50508574; PubChem:CID1006800
|
Local ready
Direct docking supported
|
|
E3L058339
BDB058339
|
3-(2,4-Dichloro-3-methylbenzenesulfonamido)benzoic acid
Cc1c(Cl)ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c1Cl
|
C14H11Cl2NO4S 360.218000 |
PZLKNWTZRUVXIL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50508575; PubChem:CID39845172
|
Local ready
Direct docking supported
|
|
E3L058340
BDB058340
|
BDBM50508576
COc1cccc(-c2[nH]c3ccccc3c2C2c3ccccc3C(=O)N2CC(=O)O)c1
|
C25H20N2O4 412.445000 |
CTNRDFOTOJCFMD-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50508576; PubChem:CID16487351
|
Local ready
Direct docking supported
|