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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 = 'BDBM50152820'   
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))
BDBM50152820
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES CC(NCCc1ccccc1F)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C39H43ClFN5O2/c1-27(42-19-18-29-8-4-6-12-34(29)41)33-11-5-7-13-37(33)45-20-22-46(23-21-45)39(48)36(24-28-14-16-32(40)17-15-28)44-38(47)35-25-30-9-2-3-10-31(30)26-43-35/h2-17,27,35-36,42-43H,18-26H2,1H3,(H,44,47)/t27?,35-,36-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
33n/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))
BDBM50152820
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES CC(NCCc1ccccc1F)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C39H43ClFN5O2/c1-27(42-19-18-29-8-4-6-12-34(29)41)33-11-5-7-13-37(33)45-20-22-46(23-21-45)39(48)36(24-28-14-16-32(40)17-15-28)44-38(47)35-25-30-9-2-3-10-31(30)26-43-35/h2-17,27,35-36,42-43H,18-26H2,1H3,(H,44,47)/t27?,35-,36-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.06E+3n/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