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BDBM50119373 (2S)-2-amino-3-(1H-imidazol-4-yl)-N-[(2R)-1-{1-methanesulfonyl-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-yl}-3-(naphthalen-2-yl)-1-oxopropan-2-yl]propanamide::1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {1-(4-chloro-benzyl)-2-[4-cyclohexyl-4-(2-methyl-2H-tetrazol-5-ylmethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide::CHEMBL140155

SMILES: CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](N)Cc2cnc[nH]2)c2ccccc12

InChI Key: InChIKey=CNEVNNMBIGDVSA-WUFINQPMSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50119373   
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))
BDBM50119373
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](Cc2ccc3ccccc3c2)NC(=O)[C@@H](N)Cc2cnc[nH]2)c2ccccc12
Show InChI InChI=1S/C32H36N6O4S/c1-43(41,42)38-20-32(26-8-4-5-9-29(26)38)12-14-37(15-13-32)31(40)28(36-30(39)27(33)18-25-19-34-21-35-25)17-22-10-11-23-6-2-3-7-24(23)16-22/h2-11,16,19,21,27-28H,12-15,17-18,20,33H2,1H3,(H,34,35)(H,36,39)/t27-,28+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 108n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as stimulation of cAMP production


J Med Chem 47: 6821-30 (2004)


Article DOI: 10.1021/jm049278i
BindingDB Entry DOI: 10.7270/Q2610ZSQ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50119373
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](Cc2ccc3ccccc3c2)NC(=O)[C@@H](N)Cc2cnc[nH]2)c2ccccc12
Show InChI InChI=1S/C32H36N6O4S/c1-43(41,42)38-20-32(26-8-4-5-9-29(26)38)12-14-37(15-13-32)31(40)28(36-30(39)27(33)18-25-19-34-21-35-25)17-22-10-11-23-6-2-3-7-24(23)16-22/h2-11,16,19,21,27-28H,12-15,17-18,20,33H2,1H3,(H,34,35)(H,36,39)/t27-,28+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 108n/an/an/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