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BDBM50235765 1-((2R,3R)-2-(1-(2-((S)-1-amino-2-methylpropyl)-4-methylphenyl)piperazine-4-carbonyl)-3-(4-(trifluoromethyl)phenyl)pyrrolidin-1-yl)ethanone::CHEMBL401584

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

InChI Key: InChIKey=ARZAQFOTVNXPJI-DURWQBQJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50235765   
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))		BDBM50235765
PNG
(1-((2R,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(C)=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H37F3N4O2/c1-18(2)26(33)24-17-19(3)5-10-25(24)34-13-15-35(16-14-34)28(38)27-23(11-12-36(27)20(4)37)21-6-8-22(9-7-21)29(30,31)32/h5-10,17-18,23,26-27H,11-16,33H2,1-4H3/t23-,26+,27-/m1/s1
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KEGG

UniProtKB/SwissProt

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UniChem

Similars
Article
PubMed
 54n/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