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BDBM50160540 (R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-oxo-2-[4-(2-{[3-(2-oxo-pyrrolidin-1-yl)-propylamino]-methyl}-phenyl)-piperazin-1-yl]-ethyl}-amide::CHEMBL360296

SMILES: Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2CNCCCN2CCCC2=O)cc1

InChI Key: InChIKey=SPYZGNUOHONYKK-CZNDPXEESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50160540   
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))
BDBM50160540
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2CNCCCN2CCCC2=O)cc1
Show InChI InChI=1S/C37H45ClN6O3/c38-31-14-12-27(13-15-31)23-33(41-36(46)32-24-28-7-1-2-8-29(28)26-40-32)37(47)44-21-19-42(20-22-44)34-10-4-3-9-30(34)25-39-16-6-18-43-17-5-11-35(43)45/h1-4,7-10,12-15,32-33,39-40H,5-6,11,16-26H2,(H,41,46)/t32-,33-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
270n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 4 receptor expressed in HEK 293 cells using [125I]NDP-MSH


Bioorg Med Chem Lett 15: 833-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.096
BindingDB Entry DOI: 10.7270/Q23T9GQF
More data for this
Ligand-Target Pair