BindingDB logo
myBDB logout

BDBM50023026 CHEMBL288412::CHEMBL3144107::{1-[1-{1-[1-Hydroxy-2-(2-methyl-propane-1-sulfonyl)-ethyl]-3-methyl-butylcarbamoyl}-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

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

InChI Key: InChIKey=GGJQHHDYMXXKAP-JGYHXSOQSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023026   
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))
BDBM50023026
PNG
(CHEMBL288412 | CHEMBL3144107 | {1-[1-{1-[1-Hydroxy...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CS(=O)(=O)CC(C)C
Show InChI InChI=1S/C31H49N5O7S/c1-20(2)13-24(27(37)18-44(41,42)17-21(3)4)34-29(39)26(15-23-16-32-19-33-23)35-28(38)25(14-22-11-9-8-10-12-22)36-30(40)43-31(5,6)7/h8-12,16,19-21,24-27,37H,13-15,17-18H2,1-7H3,(H,32,33)(H,34,39)(H,35,38)(H,36,40)/t24-,25?,26?,27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of human renal renin at the pH optimum 7.4


J Med Chem 30: 1609-16 (1987)


Article DOI: 10.1021/jm00392a015
BindingDB Entry DOI: 10.7270/Q2W094Z9
More data for this
Ligand-Target Pair