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BDBM50492352 CHEMBL2403867

SMILES: Cc1ccc2n([C@H]3CC[C@@H](CC3)NCC3Cc4ccc(F)cc4C3)c(nc2c1)C(C)(C)O

InChI Key: InChIKey=DDGFVDLVAYBCHA-LUVPUJNKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50492352   
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))		BDBM50492352
PNG
(CHEMBL2403867)
Show SMILES Cc1ccc2n([C@H]3CC[C@@H](CC3)NCC3Cc4ccc(F)cc4C3)c(nc2c1)C(C)(C)O |r,wU:6.5,wD:9.12,(64.6,-11.23,;66.11,-10.95,;67.1,-12.13,;68.62,-11.86,;69.15,-10.4,;70.57,-9.83,;71.91,-10.61,;73.25,-9.88,;74.57,-10.7,;74.51,-12.27,;73.16,-12.98,;71.85,-12.17,;75.85,-13.05,;77.19,-12.29,;77.2,-10.75,;75.96,-9.84,;76.45,-8.38,;75.7,-7.05,;76.47,-5.73,;78.01,-5.74,;78.79,-4.42,;78.76,-7.08,;77.98,-8.4,;78.45,-9.86,;70.46,-8.28,;68.96,-7.91,;68.15,-9.22,;66.63,-9.5,;71.63,-7.28,;70.85,-5.94,;72.4,-5.94,;73.09,-7.81,)|
Show InChI InChI=1S/C27H34FN3O/c1-17-4-11-25-24(12-17)30-26(27(2,3)32)31(25)23-9-7-22(8-10-23)29-16-18-13-19-5-6-21(28)15-20(19)14-18/h4-6,11-12,15,18,22-23,29,32H,7-10,13-14,16H2,1-3H3/t18?,22-,23-
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n/an/a 1.10E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH peptide from human MCHR1 expressed in CHOK1 cells

Bioorg Med Chem Lett 23: 4216-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.017
BindingDB Entry DOI: 10.7270/Q2TX3J95
More data for this
Ligand-Target Pair