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BDBM50192621 CHEMBL412801::tert-butyl 4-((((1R,3R,6R)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)(5,6-dichloro-1H-benzo[d]imidazol-2-yl)amino)methyl)piperidine-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1CCC(CN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1

InChI Key: InChIKey=RNTDLVRHEPCKPP-JOUUIMRQSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50192621   
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))		BDBM50192621
PNG
(CHEMBL412801 | tert-butyl 4-((((1R,3R,6R)-6-(3-cya...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1
Show InChI InChI=1S/C32H37Cl2N5O2/c1-31(2,3)41-30(40)38-11-8-20(9-12-38)19-39(29-36-27-15-25(33)26(34)16-28(27)37-29)24-7-10-32(17-23(32)14-24)22-6-4-5-21(13-22)18-35/h4-6,13,15-16,20,23-24H,7-12,14,17,19H2,1-3H3,(H,36,37)/t23-,24+,32+/m0/s1
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 1.15E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding activity against human MCH-R1

Bioorg Med Chem Lett 16: 5427-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.058
BindingDB Entry DOI: 10.7270/Q228076K
More data for this
Ligand-Target Pair