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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50006857'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Renin


(Homo sapiens (Human))
BDBM50006857
PNG
(4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sul...)
Show SMILES Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CC(=O)NCCN(CCO)CCO)cs1
Show InChI InChI=1S/C36H58N8O9S2/c37-36-39-28(25-54-36)23-30(41-35(50)31(22-27-9-5-2-6-10-27)42-55(51,52)44-15-19-53-20-16-44)34(49)40-29(21-26-7-3-1-4-8-26)32(47)24-33(48)38-11-12-43(13-17-45)14-18-46/h2,5-6,9-10,25-26,29-32,42,45-47H,1,3-4,7-8,11-24H2,(H2,37,39)(H,38,48)(H,40,49)(H,41,50)/t29-,30-,31-,32-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.


J Med Chem 35: 2562-72 (1992)


Article DOI: 10.1021/jm00092a006
BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair