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BDBM50014096 1-Acetyl-pyrrolidine-2-carboxylic acid {1-[1-{1-[(1-carbamoyl-2-phenyl-ethylamino)-methyl]-2-phenyl-ethylcarbamoyl}-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-amide(U-71909E)::CHEMBL305120::CHEMBL3142167

SMILES: CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CN[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1

InChI Key: InChIKey=QDUWEZGYZYPMBL-UHFFFAOYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50014096   
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))
BDBM50014096
PNG
(1-Acetyl-pyrrolidine-2-carboxylic acid {1-[1-{1-[(...)
Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CN[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1
Show InChI InChI=1S/C40H48N8O5/c1-27(49)48-19-11-18-36(48)40(53)47-34(22-30-16-9-4-10-17-30)39(52)46-35(23-31-24-42-26-44-31)38(51)45-32(20-28-12-5-2-6-13-28)25-43-33(37(41)50)21-29-14-7-3-8-15-29/h2-10,12-17,24,26,32-36,43H,11,18-23,25H2,1H3,(H2,41,50)(H,42,44)(H,45,51)(H,46,52)(H,47,53)
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Similars

Article
PubMed
n/an/an/a 29n/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Dissociation constant (Kd) of renin inhibitor was determined over a temperature range of 8-37 degree by the fluorescence displacement assay


J Med Chem 33: 2080-6 (1990)


Article DOI: 10.1021/jm00170a006
BindingDB Entry DOI: 10.7270/Q2D50KX6
More data for this
Ligand-Target Pair