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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50291954'   
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))		BDBM50291954
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)CCc1ccccn1)[C@@H](C)c1ccccc1)Cc1csc(N)n1
Show InChI InChI=1S/C40H58N6O5S/c1-27(2)21-35(47)38(50)34(22-29-13-7-5-8-14-29)44-39(51)31(23-33-26-52-40(41)43-33)24-36(48)46(28(3)30-15-9-6-10-16-30)25-37(49)45(4)20-18-32-17-11-12-19-42-32/h6,9-12,15-17,19,26-29,31,34-35,38,47,50H,5,7-8,13-14,18,20-25H2,1-4H3,(H2,41,43)(H,44,51)/t28-,31+,34-,35-,38+/m0/s1
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PubMed
n/an/an/an/an/a 0.00135 6.68n/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