| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052941
BDB052941
|
BDBM50333774
C/C(=N\OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C)c1ccc(OCC(=O)O)c(C)c1
|
C23H21F3N2O4S 478.492000 |
ODUUUGYLEOEHRQ-CCVNUDIWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50333774; PubChem:CID24759099
|
Local ready
Direct docking supported
|
|
E3L052942
BDB052942
|
BDBM50333775
CC/C(=N\OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C)c1ccc(OCC(=O)O)c(C)c1
|
C24H23F3N2O4S 492.519000 |
ICMQWDRNYHZLHQ-VUTHCHCSSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50333775; PubChem:CID51346913
|
Local ready
Direct docking supported
|
|
E3L052943
BDB052943
|
BDBM50333776
Cc1cc(/C(=N/OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C2CCCCC2)ccc1OCC(=O)O
|
C28H29F3N2O4S 546.611000 |
RYEAHDYVEBVUFB-MHTZHOPKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50333776; PubChem:CID24949919
|
Local ready
Direct docking supported
|
|
E3L052944
BDB052944
|
BDBM50333777
C/C(=N\OCc1nc(-c2ccccc2)oc1C)c1ccc(OCC(=O)O)c(C)c1
|
C22H22N2O5 394.427000 |
PBHDPGOAVGEBLP-BUVRLJJBSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50333777; PubChem:CID24949595
|
Local ready
Direct docking supported
|
|
E3L052945
BDB052945
|
BDBM50333778
C/C(=N\OCc1nc(-c2ccc(C)cc2)oc1C)c1ccc(OCC(=O)O)c(C)c1
|
C23H24N2O5 408.454000 |
KOKMBZJOVKNCIL-PCLIKHOPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50333778; PubChem:CID24949596
|
Local ready
Direct docking supported
|
|
E3L052946
BDB052946
|
BDBM50333943
CC(C)[C@H](C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C
|
C46H59N5O8S 842.072000 |
HEMFWPJCESMEDL-QBPLJRLLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50333943
|
Local ready
Direct docking supported
|
|
E3L052947
BDB052947
|
BDBM50333944
CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(C)NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(C)C)C(=O)NCc1ccccc1
|
C40H53N5O8S2 796.025000 |
MFTIFCUQYSAMLU-FMLRHLGWSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50333944
|
Local ready
Direct docking supported
|
|
E3L052948
BDB052948
|
BDBM50333945
CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(c2ccccc2)NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(C)C)C(=O)NCc1ccccc1
|
C45H55N5O8S2 858.096000 |
FORMHTPKYXAYSB-SPHURBIESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50333945
|
Local ready
Direct docking supported
|
|
E3L052949
BDB052949
|
BDBM50333946
CC(C)CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(c2ccccc2)NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(C)C
|
C37H48N4O7S 692.879000 |
NUOROLSRIMMSEX-WUPFMNCUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50333946
|
Local ready
Direct docking supported
|
|
E3L052950
BDB052950
|
BDBM50333947
CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(c2ccccc2)NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(C)C
|
C34H42N4O7S 650.798000 |
BXMWIRLJJNVREQ-PFDUYEAOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50333947
|
Local ready
Direct docking supported
|
|
E3L052951
BDB052951
|
BDBM50333948
COc1ccc(C2NC(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C(C)C)COCc3cccc2c3)cc1
|
C38H50N4O8S 722.905000 |
NXLITCKBWIAXEQ-QPMRDEQLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50333948
|
Local ready
Direct docking supported
|
|
E3L052952
BDB052952
|
BDBM50333949
COCCCC1NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C(C)C)COCc2cccc1c2
|
C35H52N4O8S 688.888000 |
FUEBVLZNNDKTAY-IPDPXPSLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50333949
|
Local ready
Direct docking supported
|
|
E3L052953
BDB052953
|
BDBM50333950
COCCOC1NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C(C)C)COCc2cccc1c2
|
C34H50N4O9S 690.860000 |
PVPCBXKRPVESEX-LMDNDRLDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50333950
|
Local ready
Direct docking supported
|
|
E3L052954
BDB052954
|
BDBM50333951
COCCOC1CCCc2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C(C)C)COCc2cccc1c2
|
C36H55N3O8S 689.916000 |
KSBWLAGPKYTNIN-WUPFMNCUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50333951
|
Local ready
Direct docking supported
|
|
E3L052955
BDB052955
|
BDBM50333979
Cc1cc2c(CCc3nc(-c4ccc(Cl)cc4Cl)oc3C(C)C)noc2cc1OCC(=O)O
|
C24H22Cl2N2O5 489.355000 |
JDTVEJCQPMSSOE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50333979; PubChem:CID21928218
|
Local ready
Direct docking supported
|
|
E3L052956
BDB052956
|
Pimozide
O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
|
C28H29F2N3O 461.556000 |
YVUQSNJEYSNKRX-UHFFFAOYSA-N | Q8TAF3 | WD repeat-containing protein 48 |
BindingDB, PubChem
BindingDB:BDBM50334150; PubChem:CID16362
|
Local ready
Direct docking supported
|
|
E3L052957
BDB052957
|
Pyrrole-derivative1
Cc1ccc(C(=O)c2cccn2C/C=C/c2cccc(OCC(=O)O)c2)cc1
|
C23H21NO4 375.424000 |
CNBLGGYQBCKUKJ-ZZXKWVIFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50334216; PubChem:CID21101227
|
Local ready
Direct docking supported
|
|
E3L052958
BDB052958
|
BDBM50334217
COc1ccc(C(=O)c2cc(C)cn2C/C=C/c2ccc(Cl)cc2C(=O)NS(C)(=O)=O)cc1
|
C24H23ClN2O5S 486.977000 |
JQXCBYDVKZBFFH-SNAWJCMRSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50334217; PubChem:CID9806390
|
Local ready
Direct docking supported
|
|
E3L052959
BDB052959
|
BDBM50334218
COc1ccc(C(=O)c2cccn2C/C=C/c2cccc(CC(=O)O)c2)cc1
|
C23H21NO4 375.424000 |
PNYLWCJKWHGREU-XVNBXDOJSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50334218; PubChem:CID53319204
|
Local ready
Direct docking supported
|
|
E3L052960
BDB052960
|
BDBM50334219
COc1ccc(C(=O)c2cccn2C/C=C/c2cccc(OCC(=O)O)c2)cc1
|
C23H21NO5 391.423000 |
NALUVLBHFBHXBU-ZZXKWVIFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50334219; PubChem:CID22928715
|
Local ready
Direct docking supported
|