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BDBM50136367 CHEMBL137273::N-{2-[(R)-1-(4-Chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethylcarbamoyl]-ethyl}-3-piperidin-1-yl-propionamide

SMILES: Clc1ccc(C[C@@H](NC(=O)CCNC(=O)CCN2CCCCC2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1

InChI Key: InChIKey=CDOZOPYVRWCAHF-SSEXGKCCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50136367   
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
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50136367
PNG
(CHEMBL137273 | N-{2-[(R)-1-(4-Chloro-benzyl)-2-(4-...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)CCNC(=O)CCN2CCCCC2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C34H50ClN7O3/c35-29-11-9-27(10-12-29)23-30(39-32(44)13-17-37-31(43)14-20-40-18-5-2-6-19-40)33(45)41-21-15-34(16-22-41,24-42-26-36-25-38-42)28-7-3-1-4-8-28/h9-12,25-26,28,30H,1-8,13-24H2,(H,37,43)(H,39,44)/t30-/m1/s1
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PubMed
n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors

Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair