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BDBM50014038 2-Hydroxy-3-[2-hydroxy-1-isobutyl-5-methyl-4-(2-methyl-butylcarbamoyl)-hexylcarbamoyl]-4-oxo-5-phenyl-pentanoic acid::CHEMBL26486

SMILES: CC[C@@H](C)CNC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)C(C(O)C(O)=O)C(=O)Cc1ccccc1)C(C)C

InChI Key: InChIKey=SJQDGCJFSZEKAG-ARLUFAQCSA-N

Data: 1 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50014038   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renin


(Homo sapiens (Human))
BDBM50014038
PNG
(2-Hydroxy-3-[2-hydroxy-1-isobutyl-5-methyl-4-(2-me...)
Show SMILES CC[C@@H](C)CNC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)C(C(O)C(O)=O)C(=O)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C29H46N2O7/c1-7-19(6)16-30-27(35)21(18(4)5)15-23(32)22(13-17(2)3)31-28(36)25(26(34)29(37)38)24(33)14-20-11-9-8-10-12-20/h8-12,17-19,21-23,25-26,32,34H,7,13-16H2,1-6H3,(H,30,35)(H,31,36)(H,37,38)/t19-,21+,22+,23?,25?,26?/m1/s1
PDB
MMDB

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/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