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BDBM50005416 3-Hydroxy-4-[3-(1H-imidazol-4-yl)-2-(3-naphthalen-1-yl-2-naphthalen-1-ylmethyl-propionylamino)-propionylamino]-6-methyl-heptanoic acid (2-methyl-butyl)-amide::CHEMBL224950::CHEMBL3350030

SMILES: CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12

InChI Key: InChIKey=SHGYNXXABXGXNI-IWRMAHMXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50005416   
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))
BDBM50005416
PNG
(3-Hydroxy-4-[3-(1H-imidazol-4-yl)-2-(3-naphthalen-...)
Show SMILES CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Show InChI InChI=1S/C43H53N5O4/c1-5-29(4)25-45-41(50)24-40(49)38(20-28(2)3)47-43(52)39(23-35-26-44-27-46-35)48-42(51)34(21-32-16-10-14-30-12-6-8-18-36(30)32)22-33-17-11-15-31-13-7-9-19-37(31)33/h6-19,26-29,34,38-40,49H,5,20-25H2,1-4H3,(H,44,46)(H,45,50)(H,47,52)(H,48,51)/t29-,38-,39?,40-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against monkey renin in vitro.


J Med Chem 35: 1032-42 (1992)


Article DOI: 10.1021/jm00084a008
BindingDB Entry DOI: 10.7270/Q2NG4PKR
More data for this
Ligand-Target Pair