BindingDB logo
myBDB logout

BDBM50134509 (R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-(4-{2-[(isobutyl-methanesulfonyl-amino)-methyl]-phenyl}-piperazin-1-yl)-2-oxo-ethyl]-amide::CHEMBL339545

SMILES: CC(C)CN(Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)S(C)(=O)=O

InChI Key: InChIKey=KOMFHERAGYEJOY-ROJLCIKYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50134509   
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))		BDBM50134509
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CC(C)CN(Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)S(C)(=O)=O
Show InChI InChI=1S/C35H44ClN5O4S/c1-25(2)23-41(46(3,44)45)24-29-10-6-7-11-33(29)39-16-18-40(19-17-39)35(43)32(20-26-12-14-30(36)15-13-26)38-34(42)31-21-27-8-4-5-9-28(27)22-37-31/h4-15,25,31-32,37H,16-24H2,1-3H3,(H,38,42)/t31-,32-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 380n/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