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SMILES: CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc3NC(=O)Cc3c2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1

InChI Key: InChIKey=PYZPYAOXOKKUCA-YRKKDBSBSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50188323   
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))		BDBM50188323
PNG
(3-(4-fluoro-3-(trifluoromethyl)phenyl)-1-(3-(4-met...)
Show SMILES CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc3NC(=O)Cc3c2)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C30H35F4N5O2/c1-37-11-13-38(14-12-37)9-2-10-39(28(41)35-21-4-5-24(31)22(17-21)30(32,33)34)26-7-8-29(18-23(26)29)20-3-6-25-19(15-20)16-27(40)36-25/h3-6,15,17,23,26H,2,7-14,16,18H2,1H3,(H,35,41)(H,36,40)/t23-,26-,29-/m1/s1
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 15n/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