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BDBM50235748 1-((2S,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-methylphenyl)piperazine-4-carbonyl)-3-(4-chlorophenyl)pyrrolidin-1-yl)propan-1-one::CHEMBL403699

SMILES: CCC(=O)N1CC[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](N)C(C)C)c1ccc(Cl)cc1

InChI Key: InChIKey=KVYNDYGEFMFXOV-UIUQJESISA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50235748   
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))		BDBM50235748
PNG
(1-((2S,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-...)
Show SMILES CCC(=O)N1CC[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccc(C)cc1[C@@H](N)C(C)C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H39ClN4O2/c1-5-26(35)34-13-12-23(21-7-9-22(30)10-8-21)28(34)29(36)33-16-14-32(15-17-33)25-11-6-20(4)18-24(25)27(31)19(2)3/h6-11,18-19,23,27-28H,5,12-17,31H2,1-4H3/t23-,27+,28+/m1/s1
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KEGG

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Similars
Article
PubMed
 62n/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