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BDBM50011697 CHEMBL355726::{1-[1-(1-Cyclohexylmethyl-3-dimethylcarbamoyl-2-hydroxy-propylcarbamoyl)-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

SMILES: CN(C)C(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=LOFRXZITDCNQHA-LJWNLINESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50011697   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renin


(Homo sapiens (Human))
BDBM50011697
PNG
(CHEMBL355726 | {1-[1-(1-Cyclohexylmethyl-3-dimethy...)
Show SMILES CN(C)C(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H50N6O6/c1-33(2,3)45-32(44)38-26(17-23-14-10-7-11-15-23)30(42)37-27(18-24-20-34-21-35-24)31(43)36-25(16-22-12-8-6-9-13-22)28(40)19-29(41)39(4)5/h7,10-11,14-15,20-22,25-28,40H,6,8-9,12-13,16-19H2,1-5H3,(H,34,35)(H,36,43)(H,37,42)(H,38,44)/t25-,26-,27-,28-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 45n/an/an/an/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro renin inhibition was measured at pH 7.4 by using human plasma renin assay


J Med Chem 34: 887-900 (1991)


Article DOI: 10.1021/jm00107a004
BindingDB Entry DOI: 10.7270/Q2MK6DGK
More data for this
Ligand-Target Pair