| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044461
BDB044461
|
BDBM50023115
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCC(C)C
|
C38H58N6O6 694.918000 |
CEDPXEAOWDZGHD-YRCZKMHPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023115
|
Local ready
Direct docking supported
|
|
E3L044462
BDB044462
|
BDBM50023116
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCC(C)C
|
C38H62N4O6 670.936000 |
MDYIXOAGDLIRGM-YRCZKMHPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023116; PubChem:CID13877796
|
Local ready
Direct docking supported
|
|
E3L044463
BDB044463
|
BDBM50023117
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(C)C
|
C34H54N4O6 614.828000 |
QOMAMPFLZMKZSC-JSRHHAARSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023117; PubChem:CID13877755
|
Local ready
Direct docking supported
|
|
E3L044464
BDB044464
|
BDBM50023118
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC)C(=O)NCC(C)C
|
C35H56N4O6 628.855000 |
LXRIGABRQLCLKT-ORYMTKCHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023118; PubChem:CID13877798
|
Local ready
Direct docking supported
|
|
E3L044465
BDB044465
|
BDBM50023119
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(C)C
|
C37H56N6O6 680.891000 |
OPBPHLVGACLRDS-YDPTYEFTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023119
|
Local ready
Direct docking supported
|
|
E3L044466
BDB044466
|
BDBM50023120
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(C)(O)c1ccccc1)C(=O)NCCC(C)C
|
C33H49N5O5 595.785000 |
CKNFRFMXWDEGTE-WRBVBGAESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023120; PubChem:CID44302155
|
Local ready
Direct docking supported
|
|
E3L044467
BDB044467
|
BDBM50023121
CC(C)CCNC(=O)[C@](C)(O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C38H60N6O7 712.933000 |
COCDSOIMARBICK-JHESMCJISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023121
|
Local ready
Direct docking supported
|
|
E3L044468
BDB044468
|
BDBM50023122
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC)C(=O)NCC(C)(C)CN(C)C
|
C38H63N5O6 685.951000 |
PNWUSFUTLVMXME-YRCZKMHPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023122
|
Local ready
Direct docking supported
|
|
E3L044469
BDB044469
|
BDBM50023123
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)CN(C)C
|
C40H63N7O6 737.987000 |
WBGTXWUKERFWOG-CUPIEXAXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023123
|
Local ready
Direct docking supported
|
|
E3L044470
BDB044470
|
BDBM50023124
C=C(C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](O)CC(C)C
|
C32H52N4O7 604.789000 |
HVBNIBZGYAVXHI-NPHOHLEASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023124; PubChem:CID90663972
|
Local ready
Direct docking supported
|
|
E3L044471
BDB044471
|
BDBM50023125
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC
|
C31H48N4O6 572.747000 |
MEMIPJKVQAWZKW-PZYJALBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023125; PubChem:CID13877761
|
Local ready
Direct docking supported
|
|
E3L044472
BDB044472
|
BDBM50023126
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)CN(C)C
|
C37H61N5O6 671.924000 |
IBMYWSKESWRQPR-LKZKAFSPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023126
|
Local ready
Direct docking supported
|
|
E3L044473
BDB044473
|
BDBM50024141
CC[C@H](C)[C@H](NC(=O)C(F)(F)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C40H56F2N8O7 798.933000 |
ZZWUQYGFPYGYRB-GYQLDPEDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024141
|
Local ready
Direct docking supported
|
|
E3L044474
BDB044474
|
BDBM50024142
CC[C@H](C)[C@H](NC(=O)C(F)(F)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C43H54F2N8O7 832.950000 |
JPNUBJMDNMABFC-RDWYXHKHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024142
|
Local ready
Direct docking supported
|
|
E3L044475
BDB044475
|
BDBM50024143
CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C43H58F2N8O7 836.982000 |
JWZGXCLUMDSLEP-NLQTYAGUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024143
|
Local ready
Direct docking supported
|
|
E3L044476
BDB044476
|
BDBM50024144
CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C43H52F2N8O7 830.934000 |
PNBUJCXVIYJEJC-NLQTYAGUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024144
|
Local ready
Direct docking supported
|
|
E3L044477
BDB044477
|
BDBM50024145
CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C40H54F2N8O7 796.917000 |
WMCAEQASQDNTCO-IXBZKNFHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024145
|
Local ready
Direct docking supported
|
|
E3L044478
BDB044478
|
BDBM50024146
CC[C@H](C)[C@H](NC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C40H54F2N8O7 796.917000 |
WMCAEQASQDNTCO-HNXJGGLFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024146
|
Local ready
Direct docking supported
|
|
E3L044479
BDB044479
|
BDBM50024147
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C40H58N8O7 762.953000 |
DMTWTSCIJIGXEM-OIJZNPKMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024147
|
Local ready
Direct docking supported
|
|
E3L044480
BDB044480
|
BDBM50024148
CC[C@H](C)[C@H](NC(=O)CC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1N=CC=N1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C40H56N8O7 760.937000 |
VBCBWPNKBRXXRD-AUIVBLPUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50024148
|
Local ready
Direct docking supported
|