BindingDB logo
myBDB logout

BDBM50155386 3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[1-(2-thiophen-2-yl-ethylamino)-propyl]-phenyl}-piperazin-1-yl)-ethyl]-propionamide::CHEMBL264983

SMILES: CCC(NCCc1cccs1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCN

InChI Key: InChIKey=SNRQCDXFSFMSON-PLYLYKGUSA-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 = 50155386   
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))
BDBM50155386
PNG
(3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...)
Show SMILES CCC(NCCc1cccs1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CCN
Show InChI InChI=1S/C31H40ClN5O2S/c1-2-27(34-16-14-25-6-5-21-40-25)26-7-3-4-8-29(26)36-17-19-37(20-18-36)31(39)28(35-30(38)13-15-33)22-23-9-11-24(32)12-10-23/h3-12,21,27-28,34H,2,13-20,22,33H2,1H3,(H,35,38)/t27?,28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
140n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of binding to MC4 receptor


Bioorg Med Chem Lett 14: 5605-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.055
BindingDB Entry DOI: 10.7270/Q2DB82K8
More data for this
Ligand-Target Pair