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BDBM50245675 3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-hydroxy-2-(3-methoxyphenyl)ethyl)phenyl)piperazin-1-yl)-1-oxopropan-2-yl)propanamide::CHEMBL455189

SMILES: COc1cccc(CC(O)c2ccccc2N2CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)c1

InChI Key: InChIKey=KFQPQAFCVYIRJY-SCBLGKRXSA-N

Data: 1 KI

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 = 50245675   
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))
BDBM50245675
PNG
(3-amino-N-((R)-3-(2,4-dichlorophenyl)-1-(4-(2-(1-h...)
Show SMILES COc1cccc(CC(O)c2ccccc2N2CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)c1 |r|
Show InChI InChI=1S/C31H36Cl2N4O4/c1-41-24-6-4-5-21(17-24)18-29(38)25-7-2-3-8-28(25)36-13-15-37(16-14-36)31(40)27(35-30(39)11-12-34)19-22-9-10-23(32)20-26(22)33/h2-10,17,20,27,29,38H,11-16,18-19,34H2,1H3,(H,35,39)/t27-,29?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
66n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MC4 receptor


Bioorg Med Chem Lett 18: 4817-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.076
BindingDB Entry DOI: 10.7270/Q24T6J75
More data for this
Ligand-Target Pair