| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008581
BDB008581
|
BDBM212500
COCCCn1nc(C)c2c(C(F)(F)F)cc([C@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C23H31F3N4O3 468.520000 |
BRRTUPCJVJWGDX-MGPUTAFESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212500; PubChem:CID117877379
|
Local ready
Direct docking supported
|
|
E3L008582
BDB008582
|
BDBM212501
COCCCn1ccc2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C22H31N3O3 385.508000 |
DNCHEXVLVFYYGR-IIBYNOLFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212501; PubChem:CID68309725
|
Local ready
Direct docking supported
|
|
E3L008583
BDB008583
|
BDBM212502
COCCCN1CCc2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C22H33N3O3 387.524000 |
BFORMTCLMQTRJH-IIBYNOLFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212502; PubChem:CID89939531
|
Local ready
Direct docking supported
|
|
E3L008584
BDB008584
|
BDBM212503
COCCCn1ccc2ccc([C@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C22H31N3O3 385.508000 |
DNCHEXVLVFYYGR-HRAATJIYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212503; PubChem:CID89939526
|
Local ready
Direct docking supported
|
|
E3L008585
BDB008585
|
BDBM212506
COCCCCn1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2cccnc21
|
C22H32N4O3 400.523000 |
HTPOHBATMJWRIW-OXQOHEQNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212506; PubChem:CID89939617
|
Local ready
Direct docking supported
|
|
E3L008586
BDB008586
|
BDBM212507
COCCCCn1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2cccnc21
|
C22H32N4O3 400.523000 |
HTPOHBATMJWRIW-OXJNMPFZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212507; PubChem:CID68310599
|
Local ready
Direct docking supported
|
|
E3L008587
BDB008587
|
BDBM212508
COC(=O)NCCOc1cc(C(C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2ccccc12
|
C24H31N3O5 441.528000 |
OKTPSDXCMPFVAZ-VXNXSFHZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212508; PubChem:CID68309102
|
Local ready
Direct docking supported
|
|
E3L008588
BDB008588
|
BDBM212509
COC(=O)NCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2ccccc12
|
C24H31N3O5 441.528000 |
OKTPSDXCMPFVAZ-OPAMFIHVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212509; PubChem:CID117883201
|
Local ready
Direct docking supported
|
|
E3L008589
BDB008589
|
BDBM212510
COCCCn1nc(C)c2ccc(C(C)N(C(=O)C3CCNC3)C3CC3)cc21
|
C22H32N4O2 384.524000 |
VMLGMUXMAQTLIO-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212510; PubChem:CID124201699
|
Local ready
Direct docking supported
|
|
E3L008590
BDB008590
|
BDBM212511
COCCCn1nc(C)c2c(C)cc([C@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C23H34N4O3 414.550000 |
ATIYWRISKBUSRA-LAUBAEHRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212511; PubChem:CID117877380
|
Local ready
Direct docking supported
|
|
E3L008591
BDB008591
|
BDBM212512
COCCCn1nc(C)c2c(F)cc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C22H31FN4O3 418.513000 |
OCXRBMZFTAFVRZ-FOIQADDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212512; PubChem:CID117877381
|
Local ready
Direct docking supported
|
|
E3L008592
BDB008592
|
BDBM212513
COCCCn1nc(C)c2c(F)cc([C@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C22H31FN4O3 418.513000 |
OCXRBMZFTAFVRZ-MGPUTAFESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212513; PubChem:CID68309979
|
Local ready
Direct docking supported
|
|
E3L008593
BDB008593
|
BDBM212514
COCCCn1nc(C)c2ccc(C(C)N(C(=O)[C@H]3CNCCN3)C3CC3)cc21
|
C22H33N5O2 399.539000 |
MJKMHWSERGNIAA-OTOKDRCRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212514; PubChem:CID68309100
|
Local ready
Direct docking supported
|
|
E3L008594
BDB008594
|
BDBM212515
COCCCOc1cc(C(C)N(C(=O)[C@H]2CNCCN2)C2CC2)cc2occc12
|
C22H31N3O4 401.507000 |
BCPRTUQOYYTWFV-XCWJXAQQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212515; PubChem:CID117877382
|
Local ready
Direct docking supported
|
|
E3L008595
BDB008595
|
BDBM212516
COCCCn1cc(C)c2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C23H33N3O3 399.535000 |
KAOWRVPTFDFKCN-VGOFRKELSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212516; PubChem:CID68309982
|
Local ready
Direct docking supported
|
|
E3L008596
BDB008596
|
BDBM212517
COCCCCn1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2cc(F)cnc21
|
C22H31FN4O3 418.513000 |
UNHCNDUKSOZJAR-FOIQADDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212517; PubChem:CID68309983
|
Local ready
Direct docking supported
|
|
E3L008597
BDB008597
|
BDBM212518
COCCCCn1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2cc(F)cnc21
|
C22H31FN4O3 418.513000 |
UNHCNDUKSOZJAR-MGPUTAFESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212518; PubChem:CID117883145
|
Local ready
Direct docking supported
|
|
E3L008598
BDB008598
|
BDBM212519
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCN2)C2CC2)cc2occc12
|
C22H31N3O4 401.507000 |
BCPRTUQOYYTWFV-DNVCBOLYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212519; PubChem:CID117883143
|
Local ready
Direct docking supported
|
|
E3L008599
BDB008599
|
BDBM212520
COCCCn1cc(C)c2ccc([C@@H](C)N(C(=O)[C@H]3CNCCN3)C3CC3)cc21
|
C23H34N4O2 398.551000 |
ITEGETFABNDCSL-DYESRHJHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212520; PubChem:CID68309101
|
Local ready
Direct docking supported
|
|
E3L008600
BDB008600
|
BDBM212521
COCCCn1cc(C)c2ccc([C@H](C)N(C(=O)[C@H]3CNCCN3)C3CC3)cc21
|
C23H34N4O2 398.551000 |
ITEGETFABNDCSL-LAUBAEHRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212521; PubChem:CID117877383
|
Local ready
Direct docking supported
|