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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50134487'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))		BDBM50134487
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2cccc(Cl)c2Cn2cncn2)cc1
Show InChI InChI=1S/C32H33Cl2N7O2/c33-25-10-8-22(9-11-25)16-29(38-31(42)28-17-23-4-1-2-5-24(23)18-36-28)32(43)40-14-12-39(13-15-40)30-7-3-6-27(34)26(30)19-41-21-35-20-37-41/h1-11,20-21,28-29,36H,12-19H2,(H,38,42)/t28-,29-/m1/s1
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KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 470n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair