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BDBM50014034 3-[1-Cyclohexylmethyl-2-hydroxy-5-methyl-4-(2-methyl-butylcarbamoyl)-hexylcarbamoyl]-2-hydroxy-4-oxo-5-phenoxy-pentanoic acid::CHEMBL442105

SMILES: CC[C@@H](C)CNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)C(C(O)C(O)=O)C(=O)COc1ccccc1)C(C)C

InChI Key: InChIKey=PSWWSKOMFPZUDY-BJWYQQHASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50014034   
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))
BDBM50014034
PNG
(3-[1-Cyclohexylmethyl-2-hydroxy-5-methyl-4-(2-meth...)
Show SMILES CC[C@@H](C)CNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)C(C(O)C(O)=O)C(=O)COc1ccccc1)C(C)C
Show InChI InChI=1S/C32H50N2O8/c1-5-21(4)18-33-30(38)24(20(2)3)17-26(35)25(16-22-12-8-6-9-13-22)34-31(39)28(29(37)32(40)41)27(36)19-42-23-14-10-7-11-15-23/h7,10-11,14-15,20-22,24-26,28-29,35,37H,5-6,8-9,12-13,16-19H2,1-4H3,(H,33,38)(H,34,39)(H,40,41)/t21-,24+,25+,26?,28?,29?/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.60n/an/an/an/a6.0n/a



Upjohn Company

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin at pH 6


J Med Chem 33: 1337-43 (1990)


Article DOI: 10.1021/jm00167a009
BindingDB Entry DOI: 10.7270/Q2WD4150
More data for this
Ligand-Target Pair