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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 = 'BDBM50152800'   
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))
BDBM50152800
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES CC(NC1CCCC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C36H44ClN5O2/c1-25(39-30-10-4-5-11-30)31-12-6-7-13-34(31)41-18-20-42(21-19-41)36(44)33(22-26-14-16-29(37)17-15-26)40-35(43)32-23-27-8-2-3-9-28(27)24-38-32/h2-3,6-9,12-17,25,30,32-33,38-39H,4-5,10-11,18-24H2,1H3,(H,40,43)/t25?,32-,33-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from HEK293 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))
BDBM50152800
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES CC(NC1CCCC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C36H44ClN5O2/c1-25(39-30-10-4-5-11-30)31-12-6-7-13-34(31)41-18-20-42(21-19-41)36(44)33(22-26-14-16-29(37)17-15-26)40-35(43)32-23-27-8-2-3-9-28(27)24-38-32/h2-3,6-9,12-17,25,30,32-33,38-39H,4-5,10-11,18-24H2,1H3,(H,40,43)/t25?,32-,33-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 72n/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