| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008561
BDB008561
|
BDBM212480
COCCCn1cc(Cl)c2ccc([C@H](C)N(C(=O)[C@H]3CNCCN3)C3CC3)cc21
|
C22H31ClN4O2 418.969000 |
UHYIJJQHEZOFOU-MGPUTAFESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212480; PubChem:CID68309966
|
Local ready
Direct docking supported
|
|
E3L008562
BDB008562
|
BDBM212481
COCCCOc1cc2c(cc1Br)CC[C@H]2N(C(=O)[C@H]1CNCCO1)C1CC1
|
C21H29BrN2O4 453.377000 |
YLSYSQHAVUKDPP-UYAOXDASSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212481; PubChem:CID66551834
|
Local ready
Direct docking supported
|
|
E3L008563
BDB008563
|
BDBM212482
COCCCCn1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)nc21
|
C23H34N4O3 414.550000 |
CFDHRLJDXNFHJF-DYESRHJHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212482; PubChem:CID89939716
|
Local ready
Direct docking supported
|
|
E3L008564
BDB008564
|
BDBM212483
COCCCCn1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2c(F)ccnc21
|
C22H31FN4O3 418.513000 |
HABISHBOTHQKOM-HNAYVOBHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212483; PubChem:CID66551835
|
Local ready
Direct docking supported
|
|
E3L008565
BDB008565
|
BDBM212484
COCCCCn1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2c(F)ccnc21
|
C22H31FN4O3 418.513000 |
HABISHBOTHQKOM-DNVCBOLYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212484; PubChem:CID117883174
|
Local ready
Direct docking supported
|
|
E3L008566
BDB008566
|
BDBM212485
COCCCn1nc(C)c2c(Cl)cc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C22H31ClN4O3 434.968000 |
FUZDMPHNVOBBHN-FOIQADDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212485; PubChem:CID66551836
|
Local ready
Direct docking supported
|
|
E3L008567
BDB008567
|
BDBM212486
COCCCn1nc(C)c2c(Cl)cc([C@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C22H31ClN4O3 434.968000 |
FUZDMPHNVOBBHN-MGPUTAFESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212486; PubChem:CID68309688
|
Local ready
Direct docking supported
|
|
E3L008568
BDB008568
|
BDBM212487
COCCCn1nc(C)c2c(C)cc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C23H34N4O3 414.550000 |
ATIYWRISKBUSRA-DYESRHJHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212487; PubChem:CID66551837
|
Local ready
Direct docking supported
|
|
E3L008569
BDB008569
|
BDBM212488
COC(=O)NCCCn1cc(C(C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2cccnc21
|
C22H31N5O4 429.521000 |
LKUGETCFXYSPQB-XCWJXAQQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212488; PubChem:CID117883124
|
Local ready
Direct docking supported
|
|
E3L008570
BDB008570
|
BDBM212489
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2occc12
|
C22H30N2O5 402.491000 |
RNDPRUVTGHOKOT-QVKFZJNVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212489; PubChem:CID66548854
|
Local ready
Direct docking supported
|
|
E3L008571
BDB008571
|
BDBM212490
COCCCOc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2occc12
|
C22H30N2O5 402.491000 |
RNDPRUVTGHOKOT-YCRPNKLZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212490; PubChem:CID68308680
|
Local ready
Direct docking supported
|
|
E3L008572
BDB008572
|
BDBM212491
COCCCOc1cc(OCCCOC)cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c1
|
C24H38N2O6 450.576000 |
XMSJGKAIKSWJDO-WZONZLPQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212491; PubChem:CID66548855
|
Local ready
Direct docking supported
|
|
E3L008573
BDB008573
|
BDBM212492
COCCCOc1cc(OCCCOC)cc(C(C)N(C(=O)[C@H]2CNCCO2)C2CC2)c1
|
C24H38N2O6 450.576000 |
XMSJGKAIKSWJDO-WBPHRXDCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212492; PubChem:CID89939609
|
Local ready
Direct docking supported
|
|
E3L008574
BDB008574
|
BDBM212493
COc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(Cl)c1OC
|
C18H25ClN2O4 368.861000 |
UZSAHIXLZZNXBT-BDJLRTHQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212493; PubChem:CID117883164
|
Local ready
Direct docking supported
|
|
E3L008575
BDB008575
|
BDBM212494
COc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)nc2ccccc12
|
C20H25N3O3 355.438000 |
ZISFDLHPKNLHJJ-BFUOFWGJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212494; PubChem:CID117883176
|
Local ready
Direct docking supported
|
|
E3L008576
BDB008576
|
BDBM212495
COc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)nc2ccccc12
|
C20H25N3O3 355.438000 |
ZISFDLHPKNLHJJ-ORAYPTAESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212495; PubChem:CID68309731
|
Local ready
Direct docking supported
|
|
E3L008577
BDB008577
|
BDBM212496
COc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2ccccc12
|
C21H26N2O3 354.450000 |
GJNYFLRNHHMEJY-VBKZILBWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212496; PubChem:CID68309980
|
Local ready
Direct docking supported
|
|
E3L008578
BDB008578
|
BDBM212497
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2c1CCO2
|
C22H32N2O5 404.507000 |
WJQKCWNAKUURRT-QVKFZJNVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212497; PubChem:CID117877378
|
Local ready
Direct docking supported
|
|
E3L008579
BDB008579
|
BDBM212498
COCCCOc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2c1CCO2
|
C22H32N2O5 404.507000 |
WJQKCWNAKUURRT-YCRPNKLZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212498; PubChem:CID117877377
|
Local ready
Direct docking supported
|
|
E3L008580
BDB008580
|
BDBM212499
COCCCn1nc(C)c2c(C(F)(F)F)cc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C23H31F3N4O3 468.520000 |
BRRTUPCJVJWGDX-FOIQADDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212499; PubChem:CID68309974
|
Local ready
Direct docking supported
|