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BDBM50022588 CHEMBL291787::{2-[1-(4-Butylcarbamoyl-1-cyclohexylmethyl-2-hydroxy-5-methyl-hexylcarbamoyl)-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-3-phenyl-propyl}-phosphonic acid diethyl ester

SMILES: CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CP(=O)(OCC)OCC)C(C)C

InChI Key: InChIKey=WSOABBGNYMCKTG-ZAMBHPDASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50022588   
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))		BDBM50022588
PNG
(CHEMBL291787 | {2-[1-(4-Butylcarbamoyl-1-cyclohexy...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CP(=O)(OCC)OCC)C(C)C
Show InChI InChI=1S/C39H64N5O7P/c1-6-9-20-41-38(47)33(28(4)5)24-36(45)34(22-30-18-14-11-15-19-30)43-39(48)35(23-32-25-40-27-42-32)44-37(46)31(21-29-16-12-10-13-17-29)26-52(49,50-7-2)51-8-3/h10,12-13,16-17,25,27-28,30-31,33-36,45H,6-9,11,14-15,18-24,26H2,1-5H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t31?,33-,34-,35-,36?/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2

J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair