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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50291956'   
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))		BDBM50291956
PNG
((R)-2-(2-Amino-thiazol-4-ylmethyl)-N*1*-((1S,2R,3S...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)N(CC(=O)N(C)CCC(=O)N1CCOCC1)[C@@H](C)c1ccccc1)Cc1csc(N)n1
Show InChI InChI=1S/C40H62N6O7S/c1-27(2)21-34(47)38(51)33(22-29-11-7-5-8-12-29)43-39(52)31(23-32-26-54-40(41)42-32)24-36(49)46(28(3)30-13-9-6-10-14-30)25-37(50)44(4)16-15-35(48)45-17-19-53-20-18-45/h6,9-10,13-14,26-29,31,33-34,38,47,51H,5,7-8,11-12,15-25H2,1-4H3,(H2,41,42)(H,43,52)/t28-,31+,33-,34-,38+/m0/s1
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Similars
PubMed
n/an/an/an/an/a 0.00130 2n/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Component acylation rate constant by the compound against Renin was determined

J Med Chem 38: 1751-61 (1995)


BindingDB Entry DOI: 10.7270/Q2K35SQR
More data for this
Ligand-Target Pair