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BDBM50130654 CHEMBL3633130

SMILES: Cl.CCCCCCc1cn(CC(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc2ccc(OC)c(OCCCOC)c2)C(C)C)C(C)C)nn1

InChI Key: InChIKey=WNLGAQWXAQLIMC-WVHOTPLISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130654   
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))		BDBM50130654
PNG
(CHEMBL3633130)
Show SMILES Cl.CCCCCCc1cn(CC(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc2ccc(OC)c(OCCCOC)c2)C(C)C)C(C)C)nn1 |r|
Show InChI InChI=1S/C38H67N5O5.ClH/c1-10-11-12-13-15-31-24-43(42-41-31)26-38(6,7)25-40-37(45)32(28(4)5)23-34(44)33(39)22-30(27(2)3)20-29-16-17-35(47-9)36(21-29)48-19-14-18-46-8;/h16-17,21,24,27-28,30,32-34,44H,10-15,18-20,22-23,25-26,39H2,1-9H3,(H,40,45);1H/t30-,32-,33-,34-;/m0./s1
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Similars
PubMed
n/an/a 17n/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