| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048141
BDB048141
|
BDBM50195083
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@]2(C(=O)O)CCCO2)nc1
|
C23H24N2O5 408.454000 |
OYWWKKYTRPWVCD-HSZRJFAPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50195083; PubChem:CID44419918
|
Local ready
Direct docking supported
|
|
E3L048142
BDB048142
|
BDBM50195084
Cc1cccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)nc3)c(C)o2)c1
|
C24H26N2O5 422.481000 |
QEQCZUPXQNXGFY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50195084; PubChem:CID44419906
|
Local ready
Direct docking supported
|
|
E3L048143
BDB048143
|
BDBM50195085
Cc1oc(-c2ccccc2)nc1CCOc1ncc(CC2(C(=O)O)CCCO2)cn1
|
C22H23N3O5 409.442000 |
KGTUYJFJDIORDD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50195085; PubChem:CID44419911
|
Local ready
Direct docking supported
|
|
E3L048144
BDB048144
|
BDBM50195086
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)nc1
|
C23H24N2O5 408.454000 |
OYWWKKYTRPWVCD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50195086; PubChem:CID11774184
|
Local ready
Direct docking supported
|
|
E3L048145
BDB048145
|
BDBM50195087
CCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cn1)C(=O)O
|
C22H24N2O5 396.443000 |
LRSMHDKOINPHTE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50195087; PubChem:CID44419783
|
Local ready
Direct docking supported
|
|
E3L048146
BDB048146
|
BDBM50195223
CCN(C(=O)c1cnc(C(C)C)nc1NCc1ccco1)C1CCCNC1
|
C20H29N5O2 371.485000 |
PLEJXWFGOGSITA-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50195223; PubChem:CID134148767
|
Local ready
Direct docking supported
|
|
E3L048147
BDB048147
|
BDBM50195224
CC(C)CN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)[C@H]1CCCNC1
|
C23H35N5O2 413.566000 |
RRLGPXVRIYOXIU-KRWDZBQOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50195224; PubChem:CID59625584
|
Local ready
Direct docking supported
|
|
E3L048148
BDB048148
|
BDBM50195225
c1coc(CNc2ncnc3sc4c(c23)CCCC4)c1
|
C15H15N3OS 285.372000 |
OZBAWCPXMIEVSW-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50195225; PubChem:CID837191
|
Local ready
Direct docking supported
|
|
E3L048149
BDB048149
|
BDBM50195226
Cc1ccc(C(=O)N2CCCCCC2)c(NCc2ccco2)n1
|
C18H23N3O2 313.401000 |
JCTPWJNVLSRFOU-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50195226; PubChem:CID59625393
|
Local ready
Direct docking supported
|
|
E3L048150
BDB048150
|
BDBM50195227
CC(C)CN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)[C@@H]1CCCNC1
|
C23H35N5O2 413.566000 |
RRLGPXVRIYOXIU-QGZVFWFLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50195227; PubChem:CID59625217
|
Local ready
Direct docking supported
|
|
E3L048151
BDB048151
|
BDBM50195228
CC(C)CN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)C1CCCNC1
|
C23H35N5O2 413.566000 |
RRLGPXVRIYOXIU-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50195228; PubChem:CID59625214
|
Local ready
Direct docking supported
|
|
E3L048152
BDB048152
|
BDBM50195229
CCCN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)C1CCCNC1
|
C22H33N5O2 399.539000 |
ABXMLEMJOPKFKS-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50195229; PubChem:CID59625644
|
Local ready
Direct docking supported
|
|
E3L048153
BDB048153
|
BDBM50195230
CCN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)C1CCCNC1
|
C21H31N5O2 385.512000 |
BKCJMJUNTPFDRN-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50195230; PubChem:CID134153167
|
Local ready
Direct docking supported
|
|
E3L048154
BDB048154
|
BDBM50195231
CCN(C(=O)c1cnc(C)nc1NCc1ccco1)C1CCNCC1
|
C18H25N5O2 343.431000 |
PRNYIDJCQBLFSE-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50195231; PubChem:CID134144123
|
Local ready
Direct docking supported
|
|
E3L048155
BDB048155
|
BDBM50195232
CCN(C(=O)c1cnc(C)nc1NCc1ccco1)C1CCCNC1
|
C18H25N5O2 343.431000 |
GCBMAJYEAKERQU-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50195232; PubChem:CID134152302
|
Local ready
Direct docking supported
|
|
E3L048156
BDB048156
|
BDBM50195233
CCCCN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)C1CCCNC1
|
C23H35N5O2 413.566000 |
GYZHHOFFRYNRHF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50195233; PubChem:CID59625618
|
Local ready
Direct docking supported
|
|
E3L048157
BDB048157
|
BDBM50195234
Cc1ncc(C(=O)N(C)C2CCCNC2)c(NCc2ccco2)n1
|
C17H23N5O2 329.404000 |
UUCKKQCGGNDGNA-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50195234; PubChem:CID134141868
|
Local ready
Direct docking supported
|
|
E3L048158
BDB048158
|
Furfurylamine
NCc1ccco1
|
C5H7NO 97.117000 |
DDRPCXLAQZKBJP-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50195324; PubChem:CID3438
|
Local ready
Direct docking supported
|
|
E3L048159
BDB048159
|
BDBM50195325
CCC1CCCCN1C(=O)c1ccc(C)nc1NCc1ccco1
|
C19H25N3O2 327.428000 |
YMPNVQHSKYQQOW-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50195325; PubChem:CID59625236
|
Local ready
Direct docking supported
|
|
E3L048160
BDB048160
|
BDBM50195326
CCOC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)c1
|
C21H23FN4O5 430.436000 |
PNNOENQRMKNOMV-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50195326; PubChem:CID134148875
|
Local ready
Direct docking supported
|