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SMILES: CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc3onc(N)c3c2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1

InChI Key: InChIKey=ZLLBDCVHUSTQSG-MBEZDYHHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50188322   
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))		BDBM50188322
PNG
(1-((1S,2R,5S)-5-(3-aminobenzo[d]isoxazol-5-yl)bicy...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc3onc(N)c3c2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C29H34F4N6O2/c1-37-11-13-38(14-12-37)9-2-10-39(27(40)35-19-4-5-23(30)21(16-19)29(31,32)33)24-7-8-28(17-22(24)28)18-3-6-25-20(15-18)26(34)36-41-25/h3-6,15-16,22,24H,2,7-14,17H2,1H3,(H2,34,36)(H,35,40)/t22-,24-,28-/m1/s1
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 46n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1

Bioorg Med Chem Lett 16: 4262-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.069
BindingDB Entry DOI: 10.7270/Q2BC3Z5G
More data for this
Ligand-Target Pair