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BDBM50130630 CHEMBL3633109

SMILES: Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cc2cccc(OC)c2)C(C)C)ccc1OC

InChI Key: InChIKey=WYEPLMSYHZAWOW-CRNPUGFUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130630   
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))		BDBM50130630
PNG
(CHEMBL3633109)
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)Cc2cccc(OC)c2)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C37H60N2O6.ClH/c1-25(2)29(18-27-14-15-34(44-9)35(20-27)45-17-11-16-42-7)21-32(38)33(40)22-31(26(3)4)36(41)39-24-37(5,6)23-28-12-10-13-30(19-28)43-8;/h10,12-15,19-20,25-26,29,31-33,40H,11,16-18,21-24,38H2,1-9H3,(H,39,41);1H/t29-,31-,32-,33-;/m0./s1
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Similars
PubMed
n/an/a 12n/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)


BindingDB Entry DOI: 10.7270/Q21J9CNX
More data for this
Ligand-Target Pair