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BDBM50131729 4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxylic acid benzyl-methyl-amide::CHEMBL325820

SMILES: CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1F

InChI Key: InChIKey=OCCLHOOEBUGFPU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50131729   
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
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))		BDBM50131729
PNG
(4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1F |(11.02,-3.02,;11.02,-1.48,;12.35,-.71,;13.68,-1.47,;15,-.68,;16.34,-1.45,;16.36,-2.99,;15.03,-3.76,;13.68,-3.01,;9.68,-.72,;9.67,.82,;8.35,-1.5,;7.01,-.73,;5.69,-1.52,;4.35,-.75,;3.02,-1.52,;3.02,-3.06,;4.35,-3.83,;5.69,-3.06,;7.03,-3.83,;8.36,-3.04,;9.69,-3.81,;7.03,-5.35,;5.69,-6.12,;5.69,-7.66,;7.03,-8.43,;8.36,-7.65,;8.36,-6.12,;9.69,-5.34,)|
Show InChI InChI=1S/C25H21FN2O/c1-17-23(19-12-6-8-14-21(19)26)20-13-7-9-15-22(20)27-24(17)25(29)28(2)16-18-10-4-3-5-11-18/h3-15H,16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory activity against specific binding of [3H]-CB 34 to peripheral benzodiazepine receptor in rat cortical membranes was evaluated

J Med Chem 46: 3568-71 (2003)


Article DOI: 10.1021/jm034068b
BindingDB Entry DOI: 10.7270/Q2D79C5Z
More data for this
Ligand-Target Pair