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BDBM50130652 CHEMBL3633128

SMILES: Cl.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)Cn2cc(nn2)C(C)(C)C)C(C)C)ccc1OC

InChI Key: InChIKey=XCPXRMFSGGMHLU-IEGYNWRZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130652   
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))		BDBM50130652
PNG
(CHEMBL3633128)
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)Cn2cc(nn2)C(C)(C)C)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C36H63N5O5.ClH/c1-24(2)27(17-26-13-14-31(45-11)32(18-26)46-16-12-15-44-10)19-29(37)30(42)20-28(25(3)4)34(43)38-22-36(8,9)23-41-21-33(39-40-41)35(5,6)7;/h13-14,18,21,24-25,27-30,42H,12,15-17,19-20,22-23,37H2,1-11H3,(H,38,43);1H/t27-,28-,29-,30-;/m0./s1
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n/an/a 7n/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