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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50373511'   
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))
BDBM50373511
PNG
(CHEMBL272956)
Show SMILES CC(C)[C@H](NC(=O)CCN)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C34H48ClN5O3/c1-23(2)33(37-32(41)10-13-36)28-20-24(3)4-9-31(28)38-14-16-39(17-15-38)34(42)30-22-40(27-11-18-43-19-12-27)21-29(30)25-5-7-26(35)8-6-25/h4-9,20,23,27,29-30,33H,10-19,21-22,36H2,1-3H3,(H,37,41)/t29-,30+,33-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 129-36 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.115
BindingDB Entry DOI: 10.7270/Q2MK6DR5
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50373511
PNG
(CHEMBL272956)
Show SMILES CC(C)[C@H](NC(=O)CCN)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C34H48ClN5O3/c1-23(2)33(37-32(41)10-13-36)28-20-24(3)4-9-31(28)38-14-16-39(17-15-38)34(42)30-22-40(27-11-18-43-19-12-27)21-29(30)25-5-7-26(35)8-6-25/h4-9,20,23,27,29-30,33H,10-19,21-22,36H2,1-3H3,(H,37,41)/t29-,30+,33-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6n/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor expressed in CHO cells assessed as accumulation of cAMP production


Bioorg Med Chem Lett 18: 129-36 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.115
BindingDB Entry DOI: 10.7270/Q2MK6DR5
More data for this
Ligand-Target Pair