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BDBM50186858 4-[(3'-cyano-biphenyl-4-yl)-(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-methylene]-piperidine-1-sulfonic acid dimethylamide::CHEMBL212573

SMILES: CN(C)S(=O)(=O)N1CCC(CC1)=C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N

InChI Key: InChIKey=MWVCZWZBYHHPAA-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50186858   
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))		BDBM50186858
PNG
(4-[(3'-cyano-biphenyl-4-yl)-(5-fluoro-6-trifluorom...)
Show SMILES CN(C)S(=O)(=O)N1CCC(CC1)=C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N |(19.91,-30.21,;21.24,-29.43,;22.57,-30.2,;21.24,-27.89,;22.77,-27.89,;19.69,-27.89,;21.24,-26.35,;19.91,-25.58,;19.91,-24.05,;21.25,-23.28,;22.58,-24.04,;22.58,-25.58,;21.25,-21.74,;22.58,-20.97,;23.99,-21.6,;25.01,-20.45,;26.54,-20.45,;27.31,-19.12,;26.54,-17.79,;27.3,-16.46,;25.01,-17.79,;24.24,-19.12,;22.74,-19.44,;28.85,-19.13,;30.39,-19.12,;28.85,-20.67,;28.85,-17.59,;19.91,-20.98,;18.57,-21.75,;17.24,-20.98,;17.24,-19.43,;18.57,-18.66,;19.91,-19.43,;15.91,-18.66,;14.59,-19.43,;13.25,-18.67,;13.25,-17.12,;14.58,-16.35,;15.91,-17.12,;14.57,-14.81,;14.57,-13.27,)|
Show InChI InChI=1S/C29H25F4N5O2S/c1-37(2)41(39,40)38-12-10-21(11-13-38)27(20-8-6-19(7-9-20)22-5-3-4-18(14-22)17-34)28-35-25-15-23(29(31,32)33)24(30)16-26(25)36-28/h3-9,14-16H,10-13H2,1-2H3,(H,35,36)
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Article
PubMed
 64n/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