| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008661
BDB008661
|
BDBM212583
COC(=O)NCCCc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cnc1OC
|
C21H32N4O5 420.510000 |
IZAPORQANWABNM-KBXCAEBGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212583; PubChem:CID117877487
|
Local ready
Direct docking supported
|
|
E3L008662
BDB008662
|
BDBM212584
COC(=O)NCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(OC)n1
|
C21H32N4O5 420.510000 |
WXVXYXSWXZCVSI-RDTXWAMCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212584; PubChem:CID117877493
|
Local ready
Direct docking supported
|
|
E3L008663
BDB008663
|
BDBM212585
COC(=O)NCCCc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(OC)n1
|
C21H32N4O5 420.510000 |
WXVXYXSWXZCVSI-KBXCAEBGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212585; PubChem:CID117877490
|
Local ready
Direct docking supported
|
|
E3L008664
BDB008664
|
BDBM212586
CCc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(CCCNC(=O)OC)n1
|
C22H34N4O4 418.538000 |
QTXQTZDOYUHSMC-FOIQADDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212586; PubChem:CID117877491
|
Local ready
Direct docking supported
|
|
E3L008665
BDB008665
|
BDBM212587
CCc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(CCCNC(=O)OC)n1
|
C22H34N4O4 418.538000 |
QTXQTZDOYUHSMC-MGPUTAFESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212587; PubChem:CID117877492
|
Local ready
Direct docking supported
|
|
E3L008666
BDB008666
|
BDBM212588
COCCOc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(CCCNC(=O)OC)n1
|
C23H36N4O6 464.563000 |
DVRWLTUXPBVVSV-OXJNMPFZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212588; PubChem:CID117791454
|
Local ready
Direct docking supported
|
|
E3L008667
BDB008667
|
BDBM212589
COCCCc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(CCCNC(=O)OC)n1
|
C24H38N4O5 462.591000 |
ZGGDBUDOFBYTIE-HTAPYJJXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212589; PubChem:CID68310621
|
Local ready
Direct docking supported
|
|
E3L008668
BDB008668
|
US10155731, Example 304
COC(=O)NCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(OC(C)C)n1
|
C23H36N4O5 448.564000 |
MQZWQLAQMPVFSB-OXQOHEQNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212590; PubChem:CID68310504
|
Local ready
Direct docking supported
|
|
E3L008669
BDB008669
|
US10155731, Example 306
CCc1nc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2c1c(C(F)(F)F)cn2CCCOC
|
C24H33F3N4O3 482.547000 |
RGUSPKQQTQMWDZ-YCRPNKLZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212591; PubChem:CID68310488
|
Local ready
Direct docking supported
|
|
E3L008670
BDB008670
|
BDBM212593
CCc1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2c1cc(C(F)(F)F)n2CCCOC
|
C24H33F3N4O3 482.547000 |
QCEUYRAIZQYBNB-QVKFZJNVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212593; PubChem:CID89939693
|
Local ready
Direct docking supported
|
|
E3L008671
BDB008671
|
BDBM212763
CCOc1ccc(C(C)C)cc1-c1nc2nc(C(=O)O)nc(N[C@H](C)C3CCC3)c2n1Cc1ccc(C(F)(F)F)cc1
|
C31H34F3N5O3 581.639000 |
AXGOIFFAVXPGFH-GOSISDBHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM212763; PubChem:CID77847369
|
Local ready
Direct docking supported
|
|
E3L008672
BDB008672
|
BDBM212765
CC(C)c1ccnc(-c2nc3nc(C(=O)O)nc(N(C)[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)c(F)c2)c1
|
C29H30F4N6O2 570.591000 |
DFLRUWOOKICYFU-MRXNPFEDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM212765; PubChem:CID77847370
|
Local ready
Direct docking supported
|
|
E3L008673
BDB008673
|
BDBM212767
CCC(C)c1ccnc(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1
|
C29H31F3N6O2 552.601000 |
BVPPXULSSUKQLD-ZYMOGRSISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM212767; PubChem:CID77847371
|
Local ready
Direct docking supported
|
|
E3L008674
BDB008674
|
BDBM212772
C[C@@H](Nc1nc(C(=O)O)nc2nc(-c3ccccn3)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
|
C25H23F3N6O2 496.493000 |
REQLHZHPGXDCJH-CQSZACIVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM212772; PubChem:CID90325153
|
Local ready
Direct docking supported
|
|
E3L008675
BDB008675
|
BDBM212774
Cc1ccnc(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1
|
C26H25F3N6O2 510.520000 |
SVBRBTUKMFNFAL-OAHLLOKOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM212774; PubChem:CID77847372
|
Local ready
Direct docking supported
|
|
E3L008676
BDB008676
|
BDBM212776
Cc1cccnc1-c1nc2nc(C(=O)O)nc(N[C@H](C)C3CCC3)c2n1Cc1ccc(C(F)(F)F)cc1
|
C26H25F3N6O2 510.520000 |
BWAIDYQDJMRHDG-OAHLLOKOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM212776; PubChem:CID77847373
|
Local ready
Direct docking supported
|
|
E3L008677
BDB008677
|
BDBM212778
Cc1cccc(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)n1
|
C26H25F3N6O2 510.520000 |
WNMCCHDVEIPGOP-OAHLLOKOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM212778; PubChem:CID77847455
|
Local ready
Direct docking supported
|
|
E3L008678
BDB008678
|
BDBM212780
COc1ccc(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)nc1
|
C26H25F3N6O3 526.519000 |
CIWOIHRAIIGJAR-CQSZACIVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM212780; PubChem:CID77847456
|
Local ready
Direct docking supported
|
|
E3L008679
BDB008679
|
BDBM212782
Cc1ccc(C)c(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)n1
|
C27H27F3N6O2 524.547000 |
FMDWDZTUPVXOQY-MRXNPFEDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM212782; PubChem:CID77847457
|
Local ready
Direct docking supported
|
|
E3L008680
BDB008680
|
BDBM212784
CC(C)c1ccnc(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1
|
C28H29F3N6O2 538.574000 |
KFBIOFLFOZCHBZ-MRXNPFEDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM212784; PubChem:CID77847458
|
Local ready
Direct docking supported
|