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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50130635'   
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))		BDBM50130635
PNG
(CHEMBL3633113)
Show SMILES Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)CC2CCCCC2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C36H64N2O5.ClH/c1-25(2)29(19-28-15-16-33(42-8)34(20-28)43-18-12-17-41-7)21-31(37)32(39)22-30(26(3)4)35(40)38-24-36(5,6)23-27-13-10-9-11-14-27;/h15-16,20,25-27,29-32,39H,9-14,17-19,21-24,37H2,1-8H3,(H,38,40);1H/t29-,30-,31-,32-;/m0./s1
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Similars
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin preincubated for 30 mins followed by substrate addition measured after 15 mins by fluorescence analysis

Eur J Med Chem 103: 269-88 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.060
BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair