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BDBM50235762 1-((2S,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-methylphenyl)piperazine-4-carbonyl)-3-(4-chlorophenyl)pyrrolidin-1-yl)-2,2-dimethylpropan-1-one::CHEMBL257373

SMILES: CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1[C@H](CCN1C(=O)C(C)(C)C)c1ccc(Cl)cc1

InChI Key: InChIKey=FQUPYLMXSGFHKX-KGPYPHOUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50235762   
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))		BDBM50235762
PNG
(1-((2S,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1[C@H](CCN1C(=O)C(C)(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H43ClN4O2/c1-20(2)27(33)25-19-21(3)7-12-26(25)34-15-17-35(18-16-34)29(37)28-24(22-8-10-23(32)11-9-22)13-14-36(28)30(38)31(4,5)6/h7-12,19-20,24,27-28H,13-18,33H2,1-6H3/t24-,27+,28+/m1/s1
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KEGG

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Similars
Article
PubMed
 79n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells

Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair