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BDBM50186849 5-{4-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-methyl]-phenyl}-nicotinonitrile::CHEMBL377372

SMILES: Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCN(CC2CC2)CC1)c1ccc(cc1)-c1cncc(c1)C#N

InChI Key: InChIKey=IJJCMSQNNRCBFX-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50186849   
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


(Homo sapiens (Human))		BDBM50186849
PNG
(5-{4-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5...)
Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCN(CC2CC2)CC1)c1ccc(cc1)-c1cncc(c1)C#N |(27.19,2.64,;26.42,1.3,;24.89,1.3,;24.13,-.03,;22.62,-.35,;22.46,-1.88,;23.87,-2.51,;24.89,-1.36,;26.42,-1.36,;27.19,-.03,;28.73,-.03,;30.27,-.03,;28.73,-1.57,;28.73,1.51,;21.13,-2.65,;21.13,-4.19,;19.79,-4.95,;19.79,-6.49,;21.12,-7.26,;21.12,-8.8,;19.78,-9.57,;18.25,-9.57,;19.02,-10.91,;22.46,-6.49,;22.46,-4.95,;19.79,-1.88,;18.46,-2.66,;17.12,-1.89,;17.13,-.34,;18.46,.43,;19.79,-.34,;15.79,.43,;14.47,-.34,;13.14,.42,;13.13,1.97,;14.47,2.74,;15.8,1.97,;14.47,4.29,;14.47,5.83,)|
Show InChI InChI=1S/C30H25F4N5/c31-25-13-27-26(12-24(25)30(32,33)34)37-29(38-27)28(22-7-9-39(10-8-22)17-18-1-2-18)21-5-3-20(4-6-21)23-11-19(14-35)15-36-16-23/h3-6,11-13,15-16,18H,1-2,7-10,17H2,(H,37,38)
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Article
PubMed
 10n/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