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BDBM50186831 4'-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-methyl]-6-fluoro-biphenyl-3-carbonitrile::CHEMBL211672

SMILES: Fc1ccc(cc1-c1ccc(cc1)C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)=C1CCN(CC2CC2)CC1)C#N

InChI Key: InChIKey=BZQBSCFCACXBMZ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50186831   
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50186831
PNG
(4'-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5-f...)
Show SMILES Fc1ccc(cc1-c1ccc(cc1)C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)=C1CCN(CC2CC2)CC1)C#N |(-5.09,-2.07,;-5.09,-.53,;-6.43,.23,;-6.43,1.78,;-5.1,2.55,;-3.77,1.78,;-3.77,.24,;-2.44,-.53,;-2.44,-2.07,;-1.1,-2.85,;.23,-2.07,;.23,-.52,;-1.11,.24,;1.57,-2.84,;2.9,-2.07,;4.31,-2.69,;5.33,-1.55,;6.86,-1.55,;7.63,-.22,;6.86,1.11,;7.62,2.45,;5.33,1.11,;4.56,-.22,;3.06,-.54,;9.17,-.22,;10.71,-.22,;9.17,-1.76,;9.17,1.32,;1.57,-4.38,;.23,-5.14,;.23,-6.68,;1.56,-7.45,;1.56,-8.99,;.22,-9.76,;-1.31,-9.76,;-.55,-11.09,;2.9,-6.68,;2.9,-5.14,;-5.1,4.1,;-5.1,5.64,)|
Show InChI InChI=1S/C31H25F5N4/c32-25-8-3-19(16-37)13-23(25)20-4-6-21(7-5-20)29(22-9-11-40(12-10-22)17-18-1-2-18)30-38-27-14-24(31(34,35)36)26(33)15-28(27)39-30/h3-8,13-15,18H,1-2,9-12,17H2,(H,38,39)
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Article
PubMed
 3.90n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay

Bioorg Med Chem Lett 16: 3674-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB
More data for this
Ligand-Target Pair