| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045201
BDB045201
|
BDBM50064455
Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2c(O)[nH]oc2=O)cc1
|
C22H20N2O5 392.411000 |
CHFZGXPBBPFZDR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50064455
|
Local ready
Direct docking supported
|
|
E3L045202
BDB045202
|
BDBM50065389
C[C@@]1(c2ccc3sccc3c2)CC(=O)N(Cc2cccc(C(=O)NCc3ccccc3)c2)C(=N)N1
|
C28H26N4O2S 482.609000 |
CMYLUCRICUHSQW-NDEPHWFRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065389; PubChem:CID70132509
|
Local ready
Direct docking supported
|
|
E3L045203
BDB045203
|
BDBM50065390
[H]/N=C1/N[C@](C)(C(C)C)CC(=O)N1Cc1cccc(C(=O)NCc2ccccc2)c1
|
C23H28N4O2 392.503000 |
OFTSPVADFMQIGQ-QHCPKHFHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065390; PubChem:CID71738909
|
Local ready
Direct docking supported
|
|
E3L045204
BDB045204
|
BDBM50065391
[H]/N=C1/N[C@](C)(C(C)C)CC(=O)N1Cc1cccc(N2C[C@@H](c3ccccc3)CC2=O)c1
|
C25H30N4O2 418.541000 |
VBYHYTJHKFQNCE-CPJSRVTESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065391; PubChem:CID71738915
|
Local ready
Direct docking supported
|
|
E3L045205
BDB045205
|
BDBM50065392
CC(C)[C@]1(C)CC(=O)N(Cc2cccc(N3C[C@H](c4ccccc4)CC3=O)c2)C(=N)N1
|
C25H30N4O2 418.541000 |
VBYHYTJHKFQNCE-NLFFAJNJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065392; PubChem:CID118728410
|
Local ready
Direct docking supported
|
|
E3L045206
BDB045206
|
BDBM50065393
CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(N3C[C@@H](c4ccccc4)CC3=O)c2)C(=N)N1
|
C25H29FN4O2 436.531000 |
HVNPDEJERIVIHY-DFBJGRDBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065393; PubChem:CID89818372
|
Local ready
Direct docking supported
|
|
E3L045207
BDB045207
|
BDBM50065395
CC(C)[C@]1(C)CC(=O)N(Cc2cccc(N3CC(c4cccc(Cl)c4)CC3=O)c2)C(=N)N1
|
C25H29ClN4O2 452.986000 |
NKKZPHNBIDCYOD-BIAFCPFJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065395; PubChem:CID71738790
|
Local ready
Direct docking supported
|
|
E3L045208
BDB045208
|
BDBM50065424
CC(C)[C@]1(C)CC(=O)N(Cc2ccnc(N3C[C@@H](c4ccccc4)CC3=O)c2)C(=N)N1
|
C24H29N5O2 419.529000 |
CRJMVCBGROOWHG-CYFREDJKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065424; PubChem:CID89818383
|
Local ready
Direct docking supported
|
|
E3L045209
BDB045209
|
BDBM50065425
CC(C)[C@]1(C)CC(=O)N(Cc2ccnc(N3CC[C@H](c4ccccc4)C3)c2)C(=N)N1
|
C24H31N5O 405.546000 |
HIOQLVRQFFMPPQ-RDPSFJRHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065425; PubChem:CID89818377
|
Local ready
Direct docking supported
|
|
E3L045210
BDB045210
|
BDBM50065426
CC(C)[C@]1(C)CC(=O)N(Cc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)C(=N)N1
|
C24H30N4O2 406.530000 |
IXLHCAZISVFYGN-XDHUDOTRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065426; PubChem:CID71738394
|
Local ready
Direct docking supported
|
|
E3L045211
BDB045211
|
BDBM50065427
CC(C)[C@]1(C)CC(=O)N(Cc2cccc(C(=O)N[C@H](C)c3ccccc3)c2)C(=N)N1
|
C24H30N4O2 406.530000 |
IXLHCAZISVFYGN-OSPHWJPCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065427; PubChem:CID71738908
|
Local ready
Direct docking supported
|
|
E3L045212
BDB045212
|
BDBM50065428
CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(C(=O)N[C@@H](C)c3ccccc3)c2)C(=N)N1
|
C24H29FN4O2 424.520000 |
PGSGWIDQXZCHJL-FYSMJZIKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065428; PubChem:CID60149247
|
Local ready
Direct docking supported
|
|
E3L045213
BDB045213
|
BDBM50065660
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)NCc2ccccc2)C(C)C)ccc1OC
|
C28H39N3O6 513.635000 |
WGHJKYWWSVIRLL-JYFHCDHNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065660; PubChem:CID59271992
|
Local ready
Direct docking supported
|
|
E3L045214
BDB045214
|
BDBM50065661
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)N(C)Cc2cccc3ccccc23)C(C)C)ccc1OC
|
C33H43N3O6 577.722000 |
HNDOBUBQRPNXBD-JTSJOTPCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065661; PubChem:CID118730136
|
Local ready
Direct docking supported
|
|
E3L045215
BDB045215
|
BDBM50065662
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OCc2cccc(-c3ccccc3)c2)C(C)C)ccc1OC
|
C33H42N2O5 546.708000 |
SLZAUJBJBWFYSU-BHDXBOSCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065662; PubChem:CID59272254
|
Local ready
Direct docking supported
|
|
E3L045216
BDB045216
|
BDBM50065663
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OCc2ccccc2)C(C)C)ccc1OC
|
C27H38N2O5 470.610000 |
HEBOCTIWHACMIH-JYFHCDHNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065663; PubChem:CID11518439
|
Local ready
Direct docking supported
|
|
E3L045217
BDB045217
|
BDBM50065664
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)N(C)Cc2ccccc2N2CCCC2)C(C)C)ccc1OC
|
C33H48N4O6 596.769000 |
AVSGFIKKJYKTKT-JTSJOTPCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065664; PubChem:CID118730140
|
Local ready
Direct docking supported
|
|
E3L045218
BDB045218
|
BDBM50065665
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)N(C)Cc2ccccc2-n2cccc2)C(C)C)ccc1OC
|
C33H44N4O6 592.737000 |
LBNOKRYWBYBRSI-JTSJOTPCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065665; PubChem:CID118730139
|
Local ready
Direct docking supported
|
|
E3L045219
BDB045219
|
BDBM50065666
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)N(C)Cc2nc3ccccc3s2)C(C)C)ccc1OC
|
C30H40N4O6S 584.739000 |
NHWKJCHVHGEEBJ-BKMJKUGQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065666; PubChem:CID118730138
|
Local ready
Direct docking supported
|
|
E3L045220
BDB045220
|
BDBM50065667
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)N(C)Cc2cccc3c2OCO3)C(C)C)ccc1OC
|
C30H41N3O8 571.671000 |
AFYPLINLBJMZDZ-WNCULLNHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50065667; PubChem:CID118730137
|
Local ready
Direct docking supported
|