| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044721
BDB044721
|
BDBM50037004
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCC(=O)OCC)C(C)C
|
C42H69N3O9 760.026000 |
DXTBZQYGTOXMGQ-LQWITFIISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037004
|
Local ready
Direct docking supported
|
|
E3L044722
BDB044722
|
BDBM50037005
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCNC(=O)OCc1ccccc1)C(C)C
|
C47H73N5O8 836.128000 |
OFMANDJHEIQOSA-ZSDKEGLESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037005
|
Local ready
Direct docking supported
|
|
E3L044723
BDB044723
|
BDBM50037006
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCNc1noc(N)n1)C(C)C
|
C41H68N8O7 785.044000 |
JIELZZWWLWEUOK-XYPUQJIVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037006
|
Local ready
Direct docking supported
|
|
E3L044724
BDB044724
|
BDBM50037007
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCNC(N)=O)C(C)C
|
C41H69N5O8 760.030000 |
OTOQNEUJTXSRLA-LTLCPEALSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037007
|
Local ready
Direct docking supported
|
|
E3L044725
BDB044725
|
BDBM50037008
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCC(=O)OCc1ccccc1)C(C)C
|
C46H70N4O8 807.086000 |
WZQVYFGDOBJNBS-FDXDWZSASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037008
|
Local ready
Direct docking supported
|
|
E3L044726
BDB044726
|
BDBM50037009
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCc1nnn[nH]1)C(C)C
|
C39H63N7O7 741.975000 |
HRGQXBUHQFDLOQ-ZZTWKDBPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037009
|
Local ready
Direct docking supported
|
|
E3L044727
BDB044727
|
BDBM50037010
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCNC(=O)OCc1ccccc1)C(C)C
|
C48H74N4O9 851.139000 |
GEECMHAUFALPFJ-JOJPGPFDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037010
|
Local ready
Direct docking supported
|
|
E3L044728
BDB044728
|
BDBM50037011
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCNCCO)C(C)C
|
C42H73N5O7 760.074000 |
XNHONUPMEWIJMK-MQDBWYGVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037011
|
Local ready
Direct docking supported
|
|
E3L044729
BDB044729
|
BDBM50037012
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCC(=O)O)C(C)C
|
C39H64N4O8 716.961000 |
KPHYBGRPIAVTRR-ZZTWKDBPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037012
|
Local ready
Direct docking supported
|
|
E3L044730
BDB044730
|
BDBM50037013
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCNC(C)=O)C(C)C
|
C41H68N4O8 745.015000 |
DFFADESXOORQHJ-LQWITFIISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037013
|
Local ready
Direct docking supported
|
|
E3L044731
BDB044731
|
BDBM50037014
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCN)C(C)C
|
C40H69N5O6 716.021000 |
YHFNCPFWZYGJIH-LTLCPEALSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037014
|
Local ready
Direct docking supported
|
|
E3L044732
BDB044732
|
BDBM50037015
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCC(=O)O)C(C)C
|
C40H65N3O9 731.972000 |
CSGXCXQJLMSQFF-XYPUQJIVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037015
|
Local ready
Direct docking supported
|
|
E3L044733
BDB044733
|
BDBM50037016
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCCN1CCOCC1)C(C)C
|
C45H76N4O8 801.123000 |
ASNOOBOOHNUFKP-FDXDWZSASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037016
|
Local ready
Direct docking supported
|
|
E3L044734
BDB044734
|
BDBM50037017
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCc1ccccc1)C(C)C
|
C44H68N4O6 749.050000 |
POILVWUCTCJTTR-LSLOANPCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037017
|
Local ready
Direct docking supported
|
|
E3L044735
BDB044735
|
BDBM50037018
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCC(C)(C)NCCO)C(C)C
|
C43H75N5O7 774.101000 |
MMQPVIUXDOTDEL-MQDBWYGVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037018
|
Local ready
Direct docking supported
|
|
E3L044736
BDB044736
|
BDBM50037019
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCC(=O)OCc1ccccc1)C(C)C
|
C47H72N4O8 821.113000 |
WVRMJSMINGQOJL-ZSDKEGLESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037019
|
Local ready
Direct docking supported
|
|
E3L044737
BDB044737
|
BDBM50037020
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCN)C(C)C
|
C39H66N4O7 702.978000 |
VPUOCEZDANNNKP-XYPUQJIVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037020
|
Local ready
Direct docking supported
|
|
E3L044738
BDB044738
|
BDBM50037021
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCN1CCCCC1)C(C)C
|
C44H75N5O6 770.113000 |
QNMFKJDZFTYBGY-LSLOANPCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037021
|
Local ready
Direct docking supported
|
|
E3L044739
BDB044739
|
Xg076
O=c1c2cccnc2sn1-c1ccccc1
|
C12H8N2OS 228.276000 |
LUMATLSEPMKELP-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50037078; PubChem:CID5703
|
Local ready
Direct docking supported
|
|
E3L044740
BDB044740
|
BDBM50037443
Cn1c(=O)c2[nH]c(CCCC(=O)O)nc2n(C)c1=O
|
C11H14N4O4 266.257000 |
NGBYKZGOXFIONW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50037443; PubChem:CID95036
|
Local ready
Direct docking supported
|