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BDBM50186846 4'-{(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-[1-(1-methyl-1H-pyrrole-2-carbonyl)-piperidin-4-ylidene]-methyl}-biphenyl-3-carbonitrile::CHEMBL268938

SMILES: Cn1cccc1C(=O)N1CCC(CC1)=C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N

InChI Key: InChIKey=AIHZWBYMNAHLJI-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50186846   
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))
BDBM50186846
PNG
(4'-{(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2...)
Show SMILES Cn1cccc1C(=O)N1CCC(CC1)=C(c1nc2cc(c(F)cc2[nH]1)C(F)(F)F)c1ccc(cc1)-c1cccc(c1)C#N |(-.55,-49.12,;-1.7,-48.09,;-3.2,-48.41,;-3.97,-47.07,;-2.94,-45.93,;-1.54,-46.55,;-.2,-45.79,;1.13,-46.56,;-.2,-44.25,;-1.53,-43.47,;-1.53,-41.94,;-.19,-41.18,;1.14,-41.93,;1.14,-43.48,;-.19,-39.64,;1.14,-38.86,;2.55,-39.49,;3.57,-38.34,;5.1,-38.34,;5.87,-37.02,;5.1,-35.68,;5.86,-34.35,;3.57,-35.69,;2.8,-37.01,;1.3,-37.33,;7.41,-37.02,;8.95,-37.01,;7.41,-38.56,;7.41,-35.48,;-1.53,-38.87,;-2.86,-39.64,;-4.2,-38.87,;-4.19,-37.32,;-2.87,-36.55,;-1.53,-37.32,;-5.53,-36.55,;-6.85,-37.32,;-8.19,-36.56,;-8.19,-35.01,;-6.86,-34.24,;-5.52,-35.01,;-6.86,-32.71,;-6.86,-31.17,)|
Show InChI InChI=1S/C33H25F4N5O/c1-41-13-3-6-29(41)32(43)42-14-11-23(12-15-42)30(22-9-7-21(8-10-22)24-5-2-4-20(16-24)19-38)31-39-27-17-25(33(35,36)37)26(34)18-28(27)40-31/h2-10,13,16-18H,11-12,14-15H2,1H3,(H,39,40)
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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