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SMILES: CCc1cccc(C)c1N(C(C)CCO)C(=O)CCl

InChI Key: InChIKey=CGXGXKRXZCIZOG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 181121   
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
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM181121
PNG
(US9138393, Metolachlor)
Show SMILES CCc1cccc(C)c1N(C(C)CCO)C(=O)CCl
Show InChI InChI=1S/C15H22ClNO2/c1-4-13-7-5-6-11(2)15(13)17(14(19)10-16)12(3)8-9-18/h5-7,12,18H,4,8-10H2,1-3H3
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US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



The Procter & Gamble Company

US Patent


Assay Description
A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...

US Patent US9138393 (2015)


BindingDB Entry DOI: 10.7270/Q2GF0S8J
More data for this
Ligand-Target Pair