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BDBM50134505 (R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-(5-methoxy-2-[1,2,4]triazol-1-ylmethyl-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-amide::CHEMBL123426

SMILES: COc1ccc(Cn2cncn2)c(c1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1

InChI Key: InChIKey=GTKXPAMBYZAQJP-LOYHVIPDSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50134505   
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))		BDBM50134505
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES COc1ccc(Cn2cncn2)c(c1)N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C33H36ClN7O3/c1-44-28-11-8-26(20-41-22-35-21-37-41)31(18-28)39-12-14-40(15-13-39)33(43)30(16-23-6-9-27(34)10-7-23)38-32(42)29-17-24-4-2-3-5-25(24)19-36-29/h2-11,18,21-22,29-30,36H,12-17,19-20H2,1H3,(H,38,42)/t29-,30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 110n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R)

Bioorg Med Chem Lett 13: 3793-6 (2003)


BindingDB Entry DOI: 10.7270/Q2P26ZNW
More data for this
Ligand-Target Pair