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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 = 'BDBM50152797'   
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))
BDBM50152797
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CC(NCCc1cccs1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C37H42ClN5O2S/c1-26(39-17-16-31-9-6-22-46-31)32-10-4-5-11-35(32)42-18-20-43(21-19-42)37(45)34(23-27-12-14-30(38)15-13-27)41-36(44)33-24-28-7-2-3-8-29(28)25-40-33/h2-15,22,26,33-34,39-40H,16-21,23-25H2,1H3,(H,41,44)/t26?,33-,34-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24n/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))
BDBM50152797
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES CC(NCCc1cccs1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C37H42ClN5O2S/c1-26(39-17-16-31-9-6-22-46-31)32-10-4-5-11-35(32)42-18-20-43(21-19-42)37(45)34(23-27-12-14-30(38)15-13-27)41-36(44)33-24-28-7-2-3-8-29(28)25-40-33/h2-15,22,26,33-34,39-40H,16-21,23-25H2,1H3,(H,41,44)/t26?,33-,34-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 577n/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