| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008621
BDB008621
|
BDBM212542
COCCCOc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2cnn(C)c12
|
C22H32N4O4 416.522000 |
OTUAZNODVIDBQX-MGPUTAFESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212542; PubChem:CID68310008
|
Local ready
Direct docking supported
|
|
E3L008622
BDB008622
|
BDBM212543
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2cnn(C)c12
|
C22H32N4O4 416.522000 |
OTUAZNODVIDBQX-FOIQADDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212543; PubChem:CID68309089
|
Local ready
Direct docking supported
|
|
E3L008623
BDB008623
|
BDBM212544
COc1cccc2c1CC(N(C(=O)[C@H]1CNCCO1)C1CC1)CC2
|
C19H26N2O3 330.428000 |
JHRJPSPULKRNSF-KPMSDPLLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212544; PubChem:CID117883180
|
Local ready
Direct docking supported
|
|
E3L008624
BDB008624
|
BDBM212545
COCCCCn1cc(C(C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ncccc21
|
C22H32N4O3 400.523000 |
MRUKRVMCODNCQQ-OTOKDRCRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212545; PubChem:CID89939637
|
Local ready
Direct docking supported
|
|
E3L008625
BDB008625
|
BDBM212546
COCCCCn1cc(C(C)N(C(=O)C2CCNC2)C2CC2)c2cc(F)cnc21
|
C22H31FN4O2 402.514000 |
XAOKUWGXOSKXQT-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212546; PubChem:CID124201700
|
Local ready
Direct docking supported
|
|
E3L008626
BDB008626
|
BDBM212547
COCCCCn1cc(C(C)N(C(=O)C2CCNC2)C2CC2)c2ccc(C)nc21
|
C23H34N4O2 398.551000 |
HSKVJYZVNXEPBI-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212547; PubChem:CID124201701
|
Local ready
Direct docking supported
|
|
E3L008627
BDB008627
|
BDBM212548
COCCCOc1cc([C@H](C)N(C(=O)C2CCNC2)C2CC2)cc2occc12
|
C22H30N2O4 386.492000 |
OOJIAOFJJQIUTJ-VYRBHSGPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212548; PubChem:CID124201702
|
Local ready
Direct docking supported
|
|
E3L008628
BDB008628
|
BDBM212549
COCCCOc1cc(C(C)N(C(=O)C2CCNC2)C2CC2)cc2occc12
|
C22H30N2O4 386.492000 |
OOJIAOFJJQIUTJ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212549; PubChem:CID124201703
|
Local ready
Direct docking supported
|
|
E3L008629
BDB008629
|
BDBM212550
COCCCn1ncc2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C21H30N4O3 386.496000 |
GENLPJXAFKQZEP-FOIQADDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212550; PubChem:CID117877392
|
Local ready
Direct docking supported
|
|
E3L008630
BDB008630
|
BDBM212551
COCCCn1ncc2ccc([C@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C21H30N4O3 386.496000 |
GENLPJXAFKQZEP-MGPUTAFESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212551; PubChem:CID68309757
|
Local ready
Direct docking supported
|
|
E3L008631
BDB008631
|
BDBM212552
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(Cl)c1OC
|
C21H31ClN2O5 426.941000 |
PLOOVFGIQXVDOY-AUUYWEPGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212552; PubChem:CID68309740
|
Local ready
Direct docking supported
|
|
E3L008632
BDB008632
|
BDBM212553
COCCCOc1cc(C(C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(Cl)c1OC
|
C21H31ClN2O5 426.941000 |
PLOOVFGIQXVDOY-JANGERMGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212553; PubChem:CID89939560
|
Local ready
Direct docking supported
|
|
E3L008633
BDB008633
|
BDBM212554
COCCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2cccnc21
|
C21H31N5O3 401.511000 |
REYMUJKYBJMXLL-CRAIPNDOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212554; PubChem:CID117877394
|
Local ready
Direct docking supported
|
|
E3L008634
BDB008634
|
BDBM212555
COCCCCn1nc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2cccnc21
|
C21H31N5O3 401.511000 |
REYMUJKYBJMXLL-MAUKXSAKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212555; PubChem:CID117877393
|
Local ready
Direct docking supported
|
|
E3L008635
BDB008635
|
BDBM212556
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)ccc1OCc1ccccc1
|
C27H36N2O5 468.594000 |
ABZSSBBQFQISBG-FQRUVTKNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212556; PubChem:CID117883182
|
Local ready
Direct docking supported
|
|
E3L008636
BDB008636
|
BDBM212557
COCCCn1nc(C)c2c(-c3c(C)noc3C)cc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C27H37N5O4 495.624000 |
WPEPDDRSUQTWNS-HOYKHHGWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212557; PubChem:CID68309111
|
Local ready
Direct docking supported
|
|
E3L008637
BDB008637
|
BDBM212558
COCCCn1nc(C)c2c(-c3c(C)noc3C)cc([C@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C27H37N5O4 495.624000 |
WPEPDDRSUQTWNS-MHECFPHRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212558; PubChem:CID117877395
|
Local ready
Direct docking supported
|
|
E3L008638
BDB008638
|
BDBM212559
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)ccc1OC(F)F
|
C21H30F2N2O5 428.476000 |
ZUFNFHGTAJJORS-AUUYWEPGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212559; PubChem:CID117883186
|
Local ready
Direct docking supported
|
|
E3L008639
BDB008639
|
BDBM212560
COCCCn1ccc2cnc(C(C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C21H30N4O3 386.496000 |
MUZLZHCBFFQFFL-YQYDADCPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212560; PubChem:CID89939561
|
Local ready
Direct docking supported
|
|
E3L008640
BDB008640
|
BDBM212561
COCCCn1cc(Cl)c2cnc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C21H29ClN4O3 420.941000 |
SVDOVHHPIHAJKQ-JLTOFOAXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212561; PubChem:CID117877396
|
Local ready
Direct docking supported
|