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BDBM50004402 CHEMBL420633::{1-[1-{3-[(1-Benzyl-piperidin-4-ylcarbamoyl)-methanesulfonyl]-1-cyclohexylmethyl-2-hydroxy-propylcarbamoyl}-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)CC(=O)NC1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=OTGFUFFEOQCMME-GTKRZRNESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50004402   
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))
BDBM50004402
PNG
(CHEMBL420633 | {1-[1-{3-[(1-Benzyl-piperidin-4-ylc...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)CC(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C44H63N7O8S/c1-44(2,3)59-43(56)50-37(24-32-15-9-5-10-16-32)41(54)49-38(25-35-26-45-30-46-35)42(55)48-36(23-31-13-7-4-8-14-31)39(52)28-60(57,58)29-40(53)47-34-19-21-51(22-20-34)27-33-17-11-6-12-18-33/h5-6,9-12,15-18,26,30-31,34,36-39,52H,4,7-8,13-14,19-25,27-29H2,1-3H3,(H,45,46)(H,47,53)(H,48,55)(H,49,54)(H,50,56)/t36-,37-,38-,39-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin


J Med Chem 35: 2772-81 (1992)


Article DOI: 10.1021/jm00093a009
BindingDB Entry DOI: 10.7270/Q2D50KWR
More data for this
Ligand-Target Pair