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BDBM50119365 (2S)-2-amino-3-(1H-imidazol-4-yl)-N-[(2R)-1-{1-methanesulfonyl-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-yl}-1-oxo-3-phenylpropan-2-yl]propanamide::1N-[1-benzyl-2-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]-2-oxo-(1R)-ethyl]-2-amino-3-(1H-5-imidazolyl)-(2S)-propanamide::CHEMBL424661

SMILES: CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](N)Cc2cnc[nH]2)c2ccccc12

InChI Key: InChIKey=IELGNCJBBFMEBL-BJKOFHAPSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50119365   
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))		BDBM50119365
PNG
((2S)-2-amino-3-(1H-imidazol-4-yl)-N-[(2R)-1-{1-met...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](N)Cc2cnc[nH]2)c2ccccc12
Show InChI InChI=1S/C28H34N6O4S/c1-39(37,38)34-18-28(22-9-5-6-10-25(22)34)11-13-33(14-12-28)27(36)24(15-20-7-3-2-4-8-20)32-26(35)23(29)16-21-17-30-19-31-21/h2-10,17,19,23-24H,11-16,18,29H2,1H3,(H,30,31)(H,32,35)/t23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 500n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Evaluated for Functional Activity at Melanocortin-4 receptor as effective concentration at 50% maximum CMP accumulation

J Med Chem 45: 4589-93 (2002)


BindingDB Entry DOI: 10.7270/Q2GT5MH9
More data for this
Ligand-Target Pair