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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50136357'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50136357
PNG
(CHEMBL341982 | N-[(R)-1-(4-Chloro-benzyl)-2-(4-cyc...)
Show SMILES CN(C)CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H41ClN6O2/c1-33(2)15-12-26(36)32-25(18-22-8-10-24(29)11-9-22)27(37)34-16-13-28(14-17-34,19-35-21-30-20-31-35)23-6-4-3-5-7-23/h8-11,20-21,23,25H,3-7,12-19H2,1-2H3,(H,32,36)/t25-/m1/s1
PDB

KEGG

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PubMed
n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors


Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50136357
PNG
(CHEMBL341982 | N-[(R)-1-(4-Chloro-benzyl)-2-(4-cyc...)
Show SMILES CN(C)CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H41ClN6O2/c1-33(2)15-12-26(36)32-25(18-22-8-10-24(29)11-9-22)27(37)34-16-13-28(14-17-34,19-35-21-30-20-31-35)23-6-4-3-5-7-23/h8-11,20-21,23,25H,3-7,12-19H2,1-2H3,(H,32,36)/t25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 40n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against cAMP release in CHO cells expressing human melanocortin-4 receptor


Bioorg Med Chem Lett 14: 4417-23 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.059
BindingDB Entry DOI: 10.7270/Q2251HPH
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50136357
PNG
(CHEMBL341982 | N-[(R)-1-(4-Chloro-benzyl)-2-(4-cyc...)
Show SMILES CN(C)CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
Show InChI InChI=1S/C28H41ClN6O2/c1-33(2)15-12-26(36)32-25(18-22-8-10-24(29)11-9-22)27(37)34-16-13-28(14-17-34,19-35-21-30-20-31-35)23-6-4-3-5-7-23/h8-11,20-21,23,25H,3-7,12-19H2,1-2H3,(H,32,36)/t25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 40n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Stimulation of adenylate cyclase in HEK293 cells expressing the human MC4R receptor was determined by measuring cAMP accumulation using the RPA559 SP...


Bioorg Med Chem Lett 13: 4341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2F18Z4D
More data for this
Ligand-Target Pair