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BDBM50022382 CHEMBL3142219::CHEMBL431771::{1-[1-(1-Cyclohexylmethyl-2-hydroxy-3-isobutylsulfanyl-propylcarbamoyl)-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

SMILES: CC(C)CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=RWOYVLPPDFJQSW-KRCBVYEFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50022382   
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))
BDBM50022382
PNG
(CHEMBL3142219 | CHEMBL431771 | {1-[1-(1-Cyclohexyl...)
Show SMILES CC(C)CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H53N5O5S/c1-23(2)20-45-21-30(40)27(16-24-12-8-6-9-13-24)37-32(42)29(18-26-19-35-22-36-26)38-31(41)28(17-25-14-10-7-11-15-25)39-33(43)44-34(3,4)5/h7,10-11,14-15,19,22-24,27-30,40H,6,8-9,12-13,16-18,20-21H2,1-5H3,(H,35,36)(H,37,42)(H,38,41)(H,39,43)/t27-,28-,29-,30-/m0/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


Article DOI: 10.1021/jm00394a035
BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair