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BDBM50235771 (2S,3R)-isopropyl 2-(1-(2-((S)-1-amino-2-methylpropyl)-4-methylphenyl)piperazine-4-carbonyl)-3-(4-chlorophenyl)pyrrolidine-1-carboxylate::CHEMBL404141

SMILES: CC(C)OC(=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=XRFFPLYJFXWUFL-KGPYPHOUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50235771   
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))		BDBM50235771
PNG
((2S,3R)-isopropyl 2-(1-(2-((S)-1-amino-2-methylpro...)
Show SMILES CC(C)OC(=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/C30H41ClN4O3/c1-19(2)27(32)25-18-21(5)6-11-26(25)33-14-16-34(17-15-33)29(36)28-24(22-7-9-23(31)10-8-22)12-13-35(28)30(37)38-20(3)4/h6-11,18-20,24,27-28H,12-17,32H2,1-5H3/t24-,27+,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 68n/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