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BDBM50022605 CHEMBL3348535::CHEMBL420009::{1-[1-(2-Hydroxy-1-isobutyl-5-methyl-hexylcarbamoyl)-2-(4H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

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

InChI Key: InChIKey=RLQYVIBTMGXQBU-FWEHEUNISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50022605   
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))
BDBM50022605
PNG
(CHEMBL3348535 | CHEMBL420009 | {1-[1-(2-Hydroxy-1-...)
Show SMILES CC(C)CC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H49N5O5/c1-20(2)13-14-27(37)24(15-21(3)4)34-29(39)26(17-23-18-32-19-33-23)35-28(38)25(16-22-11-9-8-10-12-22)36-30(40)41-31(5,6)7/h8-12,18-21,24-27,37H,13-17H2,1-7H3,(H,32,33)(H,34,39)(H,35,38)(H,36,40)/t24-,25-,26-,27-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against purified human renal renin


J Med Chem 31: 2264-76 (1989)


Article DOI: 10.1021/jm00120a005
BindingDB Entry DOI: 10.7270/Q2T72GDD
More data for this
Ligand-Target Pair