| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052801
BDB052801
|
BDBM50328919
COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(N3CC[C@@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c1
|
C35H41Cl3N4O3 672.097000 |
IZSGQPAFIIQCJJ-NLDZOOGBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328919; PubChem:CID24742904
|
Local ready
Direct docking supported
|
|
E3L052802
BDB052802
|
BDBM50328920
COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(N3CC[C@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c1
|
C35H41Cl3N4O3 672.097000 |
IZSGQPAFIIQCJJ-NHKHRBQYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328920; PubChem:CID24742991
|
Local ready
Direct docking supported
|
|
E3L052803
BDB052803
|
BDBM50328921
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(N3CC[C@@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c(Cl)cn1
|
C35H42Cl3N5O3 687.112000 |
OVAYUYZHPUCXTA-NLDZOOGBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50328921
|
Local ready
Direct docking supported
|
|
E3L052804
BDB052804
|
BDBM50328922
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(N3CC[C@@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c(Cl)c[n+]1[O-]
|
C35H42Cl3N5O4 703.111000 |
AFFAQTIQURLOEQ-NLDZOOGBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50328922
|
Local ready
Direct docking supported
|
|
E3L052805
BDB052805
|
BDBM50328923
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(N3CC[C@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c(Cl)c[n+]1[O-]
|
C35H42Cl3N5O4 703.111000 |
AFFAQTIQURLOEQ-NHKHRBQYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50328923
|
Local ready
Direct docking supported
|
|
E3L052806
BDB052806
|
BDBM50328924
COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1
|
C33H38Cl3N3O5 663.042000 |
ACRSSIRQZLKXJN-NYFMKLKXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328924; PubChem:CID46931232
|
Local ready
Direct docking supported
|
|
E3L052807
BDB052807
|
BDBM50328925
COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(OCC3=CC(c4c(F)ccc(F)c4Cl)NO3)nc2)C2CC2)c1
|
C34H36Cl2F2N4O5 689.587000 |
LDOOJWYIGGXIHB-VYNVMISPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50328925
|
Local ready
Direct docking supported
|
|
E3L052808
BDB052808
|
BDBM50328926
COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(N3CC[C@@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c1
|
C35H41Cl3N4O4 688.096000 |
ZYLYHIRSGOICHC-WCABBKOESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50328926
|
Local ready
Direct docking supported
|
|
E3L052809
BDB052809
|
BDBM50329008
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cccc(F)c2n1-c1ccccc1
|
C27H25F2N3O 445.513000 |
NSNRNNQGINQQIG-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329008; PubChem:CID52942172
|
Local ready
Direct docking supported
|
|
E3L052810
BDB052810
|
BDBM50329009
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccc(OCCOc3ccccc3)cc2n1-c1ccccc1
|
C35H34FN3O3 563.673000 |
VSKXHTKFUAQYIC-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329009; PubChem:CID52949120
|
Local ready
Direct docking supported
|
|
E3L052811
BDB052811
|
BDBM50329010
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccc(OCCO)cc2n1-c1ccccc1
|
C29H30FN3O3 487.575000 |
KTXXJZDGZXWMNP-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329010; PubChem:CID52949001
|
Local ready
Direct docking supported
|
|
E3L052812
BDB052812
|
BDBM50329011
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccc(S(C)(=O)=O)cc2n1-c1ccccc1
|
C28H28FN3O3S 505.615000 |
RHPAQPBPLHLIIP-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329011; PubChem:CID52941670
|
Local ready
Direct docking supported
|
|
E3L052813
BDB052813
|
BDBM50329012
Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccc(C(=O)O)cc2n1-c1ccccc1
|
C27H24FN3O4 473.504000 |
WBRXTYDORHPIAB-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329012; PubChem:CID52941025
|
Local ready
Direct docking supported
|
|
E3L052814
BDB052814
|
BDBM50329013
Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccc(OCCN(C)C)cc2n1-c1ccccc1
|
C30H33FN4O3 516.617000 |
KKDOIFGJXXIEDL-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329013; PubChem:CID52944640
|
Local ready
Direct docking supported
|
|
E3L052815
BDB052815
|
BDBM50329014
Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccc(OCC(=O)O)cc2n1-c1ccccc1
|
C28H26FN3O5 503.530000 |
INFCUHACNXFUGN-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329014; PubChem:CID52944034
|
Local ready
Direct docking supported
|
|
E3L052816
BDB052816
|
BDBM50329015
COc1ccc2c(C(=O)N3CCNCC3)c(Cc3cccc(F)c3C)n(-c3ccccc3)c2c1
|
C28H28FN3O2 457.549000 |
KYBHINSMPOVFDS-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329015; PubChem:CID52943410
|
Local ready
Direct docking supported
|
|
E3L052817
BDB052817
|
BDBM50329016
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccc(O)cc2n1-c1ccccc1
|
C27H26FN3O2 443.522000 |
NMXIZGRVJQTWOP-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329016; PubChem:CID52946997
|
Local ready
Direct docking supported
|
|
E3L052818
BDB052818
|
BDBM50329017
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cc(O)ccc2n1-c1ccccc1
|
C27H26FN3O2 443.522000 |
ANSLFCOQRNJOIK-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329017; PubChem:CID52945779
|
Local ready
Direct docking supported
|
|
E3L052819
BDB052819
|
BDBM50329018
Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2c(C)c(O)ccc2n1-c1ccccc1
|
C28H28FN3O2 457.549000 |
LWFGTVRNQYOUHL-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329018; PubChem:CID44195154
|
Local ready
Direct docking supported
|
|
E3L052820
BDB052820
|
BDBM50329019
O=C(c1c(Oc2ccccc2)n(-c2ccccc2)c2ccccc12)N1CCCNCC1
|
C26H25N3O2 411.505000 |
HIHKIAUVGYPJEI-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50329019; PubChem:CID44158434
|
Local ready
Direct docking supported
|