| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008601
BDB008601
|
BDBM212522
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(F)c1OC
|
C21H31FN2O5 410.486000 |
NUFNBFPKKYQQHL-AUUYWEPGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212522; PubChem:CID117791464
|
Local ready
Direct docking supported
|
|
E3L008602
BDB008602
|
BDBM212523
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(C(F)(F)F)c1
|
C21H29F3N2O4 430.467000 |
GUVNLTGWKYRBNY-AUUYWEPGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212523; PubChem:CID117883138
|
Local ready
Direct docking supported
|
|
E3L008603
BDB008603
|
BDBM212524
COCCCCn1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)nc21
|
C23H34N4O3 414.550000 |
CFDHRLJDXNFHJF-LAUBAEHRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212524; PubChem:CID89939552
|
Local ready
Direct docking supported
|
|
E3L008604
BDB008604
|
BDBM212525
COCCCOc1cc2c(cc1Br)CCC[C@H]2N(C(=O)[C@H]1CNCCO1)C1CC1
|
C22H31BrN2O4 467.404000 |
KZMGLRDBHLYMSH-TZIWHRDSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212525; PubChem:CID117883202
|
Local ready
Direct docking supported
|
|
E3L008605
BDB008605
|
BDBM212526
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(Br)c1OC
|
C21H31BrN2O5 471.392000 |
MGVZTCGGYHYAFX-AUUYWEPGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212526; PubChem:CID68309931
|
Local ready
Direct docking supported
|
|
E3L008606
BDB008606
|
BDBM212527
COCCCOc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(Br)c1OC
|
C21H31BrN2O5 471.392000 |
MGVZTCGGYHYAFX-IFXJQAMLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212527; PubChem:CID68309930
|
Local ready
Direct docking supported
|
|
E3L008607
BDB008607
|
BDBM212528
COCCCn1nc(C)c2c(Cl)cc(C(C)N(C(=O)[C@H]3CNCCN3)C3CC3)cc21
|
C22H32ClN5O2 433.984000 |
LGEJHNUSHWOFFH-XCWJXAQQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212528; PubChem:CID89939537
|
Local ready
Direct docking supported
|
|
E3L008608
BDB008608
|
BDBM212529
COCCCn1nc(C)c2c(Cl)cc([C@H](C)N(C(=O)[C@H]3CNCCN3)C3CC3)cc21
|
C22H32ClN5O2 433.984000 |
LGEJHNUSHWOFFH-HNAYVOBHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212529; PubChem:CID117877385
|
Local ready
Direct docking supported
|
|
E3L008609
BDB008609
|
BDBM212530
COCCCn1nc(C)c2c(Cl)cc([C@@H](C)N(C(=O)[C@H]3CNCCN3)C3CC3)cc21
|
C22H32ClN5O2 433.984000 |
LGEJHNUSHWOFFH-DNVCBOLYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212530; PubChem:CID117877386
|
Local ready
Direct docking supported
|
|
E3L008610
BDB008610
|
BDBM212531
COCCCn1nc(C)c2c(C)cc(C(C)N(C(=O)[C@H]3CNCCN3)C3CC3)cc21
|
C23H35N5O2 413.566000 |
RGUHGANMRNNCPX-UUSAFJCLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212531; PubChem:CID117877387
|
Local ready
Direct docking supported
|
|
E3L008611
BDB008611
|
BDBM212532
COCCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccccc21
|
C22H32N4O3 400.523000 |
LTNLOFRZSURVQE-OXQOHEQNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212532; PubChem:CID89939558
|
Local ready
Direct docking supported
|
|
E3L008612
BDB008612
|
BDBM212533
COCCCCn1nc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccccc21
|
C22H32N4O3 400.523000 |
LTNLOFRZSURVQE-OXJNMPFZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212533; PubChem:CID117877388
|
Local ready
Direct docking supported
|
|
E3L008613
BDB008613
|
BDBM212534
COCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccccc21
|
C21H30N4O3 386.496000 |
YWZHOTUYGFORME-DNVCBOLYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212534; PubChem:CID117877391
|
Local ready
Direct docking supported
|
|
E3L008614
BDB008614
|
BDBM212535
COCCCn1nc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2ccccc21
|
C21H30N4O3 386.496000 |
YWZHOTUYGFORME-HNAYVOBHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212535; PubChem:CID117877390
|
Local ready
Direct docking supported
|
|
E3L008615
BDB008615
|
BDBM212536
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2onc(C)c12
|
C22H31N3O5 417.506000 |
YMDHIVKVTFZOKQ-FOIQADDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212536; PubChem:CID68308686
|
Local ready
Direct docking supported
|
|
E3L008616
BDB008616
|
BDBM212537
COCCCOc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2onc(C)c12
|
C22H31N3O5 417.506000 |
YMDHIVKVTFZOKQ-MGPUTAFESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212537; PubChem:CID68309110
|
Local ready
Direct docking supported
|
|
E3L008617
BDB008617
|
BDBM212538
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2ccoc12
|
C22H30N2O5 402.491000 |
CRWKEBJXJAPXRE-FOIQADDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212538; PubChem:CID117883144
|
Local ready
Direct docking supported
|
|
E3L008618
BDB008618
|
BDBM212539
COCCCOc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2ccoc12
|
C22H30N2O5 402.491000 |
CRWKEBJXJAPXRE-MGPUTAFESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212539; PubChem:CID117883178
|
Local ready
Direct docking supported
|
|
E3L008619
BDB008619
|
BDBM212540
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2c1OCC2
|
C22H32N2O5 404.507000 |
SEYCDNYVMYBANB-FOIQADDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212540; PubChem:CID117883166
|
Local ready
Direct docking supported
|
|
E3L008620
BDB008620
|
BDBM212541
COCCCOc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2c1OCC2
|
C22H32N2O5 404.507000 |
SEYCDNYVMYBANB-MGPUTAFESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212541; PubChem:CID117883167
|
Local ready
Direct docking supported
|