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BDBM50186892 (R)-N-((2-(4-(2-(3-aminopropanamido)-3-(2,4-dichlorophenyl)propanoyl)piperazin-1-yl)pyridin-3-yl)methyl)benzamide::CHEMBL441532

SMILES: NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNC(=O)c1ccccc1

InChI Key: InChIKey=AHEQLHPQBXIPCC-RUZDIDTESA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50186892   
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))		BDBM50186892
PNG
((R)-N-((2-(4-(2-(3-aminopropanamido)-3-(2,4-dichlo...)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ncccc1CNC(=O)c1ccccc1
Show InChI InChI=1S/C29H32Cl2N6O3/c30-23-9-8-21(24(31)18-23)17-25(35-26(38)10-11-32)29(40)37-15-13-36(14-16-37)27-22(7-4-12-33-27)19-34-28(39)20-5-2-1-3-6-20/h1-9,12,18,25H,10-11,13-17,19,32H2,(H,34,39)(H,35,38)/t25-/m1/s1
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PubMed
 1.80E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells

Bioorg Med Chem Lett 16: 3693-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.069
BindingDB Entry DOI: 10.7270/Q2NZ878P
More data for this
Ligand-Target Pair