| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045381
BDB045381
|
BDBM50076494
CCN(CC)c1ccc2c(C)c(-c3ccc(N4C(=O)C=CC4=O)cc3)c(=O)oc2c1
|
C24H22N2O4 402.450000 |
YGIABALXNBVHBX-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50076494; PubChem:CID122042
|
Local ready
Direct docking supported
|
|
E3L045382
BDB045382
|
3',4',7-Trihydroxyflavone
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)ccc12
|
C15H10O5 270.240000 |
PVFGJHYLIHMCQD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50077325; PubChem:CID5322065
|
Local ready
Direct docking supported
|
|
E3L045383
BDB045383
|
BDBM50077666
O=C(CCCOc1ccc([C@H]2CCNC[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1
|
C32H33NO3 479.620000 |
IDDIPDKBTSGVOC-BHYZAODMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077666; PubChem:CID44279745
|
Local ready
Direct docking supported
|
|
E3L045384
BDB045384
|
BDBM50077667
c1ccc(COCCCCOc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1
|
C33H37NO3 495.663000 |
VWNFECAXKISCQZ-SAIUNTKASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077667; PubChem:CID44279024
|
Local ready
Direct docking supported
|
|
E3L045385
BDB045385
|
BDBM50077668
c1ccc(OCCCCOc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1
|
C32H35NO3 481.636000 |
PKFKCZDGAKFYPV-ZWXJPIIXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077668; PubChem:CID11123690
|
Local ready
Direct docking supported
|
|
E3L045386
BDB045386
|
Remikiren
CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
|
C33H50N4O6S 630.852000 |
UXIGZRQVLGFTOU-VQXQMPIVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077669; PubChem:CID6324659
|
Local ready
Direct docking supported
|
|
E3L045387
BDB045387
|
BDBM50077670
COc1ccc(CO[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)cc1
|
C19H22ClNO2 331.843000 |
BIPGSFPDFZLUIK-RBUKOAKNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077670; PubChem:CID44279247
|
Local ready
Direct docking supported
|
|
E3L045388
BDB045388
|
BDBM50077671
c1ccc(-c2noc(COc3ccc([C@H]4CCNC[C@@H]4OCc4ccc5ccccc5c4)cc3)n2)cc1
|
C31H29N3O3 491.591000 |
OEZGSINKBODXCV-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077671; PubChem:CID44279486
|
Local ready
Direct docking supported
|
|
E3L045389
BDB045389
|
BDBM50077672
O=S(=O)(NCc1ccc([C@H]2CCNC[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1
|
C29H30N2O3S 486.637000 |
LISUBEHLPYMJLG-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077672; PubChem:CID44279189
|
Local ready
Direct docking supported
|
|
E3L045390
BDB045390
|
BDBM50077673
c1ccc(CCOCCOc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1
|
C32H35NO3 481.636000 |
JTZXQEATWZNLOK-ZWXJPIIXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077673; PubChem:CID44278960
|
Local ready
Direct docking supported
|
|
E3L045391
BDB045391
|
BDBM50077674
O=C(NCCOc1ccc([C@H]2CCNC[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1
|
C31H32N2O3 480.608000 |
LUCLZGSSCVDAGU-IHLOFXLRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077674; PubChem:CID44279541
|
Local ready
Direct docking supported
|
|
E3L045392
BDB045392
|
BDBM50077675
c1cncc(-c2noc(COc3ccc([C@H]4CCNC[C@@H]4OCc4ccc5ccccc5c4)cc3)n2)c1
|
C30H28N4O3 492.579000 |
QPQFSWJMOXNXDH-IZLXSDGUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077675; PubChem:CID44279501
|
Local ready
Direct docking supported
|
|
E3L045393
BDB045393
|
BDBM50077676
c1ccc(OCCOCc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1
|
C31H33NO3 467.609000 |
CVQOAVLAQRKSIT-JSOSNVBQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077676; PubChem:CID44279522
|
Local ready
Direct docking supported
|
|
E3L045394
BDB045394
|
BDBM50077677
c1ccc(COCCCOc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)cc2)nc1
|
C31H34N2O3 482.624000 |
LJTFACNUGJTSNY-JSOSNVBQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077677; PubChem:CID44279226
|
Local ready
Direct docking supported
|
|
E3L045395
BDB045395
|
BDBM50077678
COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cc1
|
C35H41NO6 571.714000 |
GQZNHBAQKXQYIV-SJHOIFEDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077678; PubChem:CID10483146
|
Local ready
Direct docking supported
|
|
E3L045396
BDB045396
|
BDBM50077679
O=C(OCc1ccc([C@H]2CCNC[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1
|
C30H29NO3 451.566000 |
AVLVAUANAZZZAY-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077679; PubChem:CID44278968
|
Local ready
Direct docking supported
|
|
E3L045397
BDB045397
|
BDBM50077680
c1ccc(OCCCOCc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1
|
C32H35NO3 481.636000 |
HDKIHHFTEUGZHJ-ZWXJPIIXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077680; PubChem:CID44279154
|
Local ready
Direct docking supported
|
|
E3L045398
BDB045398
|
BDBM50077681
COc1ccc(C(=O)NCc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1
|
C31H32N2O3 480.608000 |
CPBKAVXCKPIAGQ-IHLOFXLRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077681; PubChem:CID44278948
|
Local ready
Direct docking supported
|
|
E3L045399
BDB045399
|
BDBM50077682
O=C(OCCOc1ccc([C@H]2CCNC[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1
|
C31H31NO4 481.592000 |
LBQROOZVTAQKBB-IHLOFXLRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077682; PubChem:CID44279544
|
Local ready
Direct docking supported
|
|
E3L045400
BDB045400
|
4-(4-Chloro-phenyl)-3-(4-methoxy-benzyloxy)-piperidine
COc1ccc(COC2CNCCC2c2ccc(Cl)cc2)cc1
|
C19H22ClNO2 331.843000 |
BIPGSFPDFZLUIK-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077683; PubChem:CID22126742
|
Local ready
Direct docking supported
|