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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 = 'BDBM50139024'   
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))
BDBM50139024
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C29H31ClN4O2/c30-24-12-10-21(11-13-24)18-27(32-28(35)26-19-22-6-4-5-7-23(22)20-31-26)29(36)34-16-14-33(15-17-34)25-8-2-1-3-9-25/h1-13,26-27,31H,14-20H2,(H,32,35)/t26-,27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.60E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human melanocortin 4 receptor using [125I]NDP-alpha-MSH as a radioligand in HEK293 cells


J Med Chem 47: 744-55 (2004)


Article DOI: 10.1021/jm0304109
BindingDB Entry DOI: 10.7270/Q2DJ5F21
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50139024
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C29H31ClN4O2/c30-24-12-10-21(11-13-24)18-27(32-28(35)26-19-22-6-4-5-7-23(22)20-31-26)29(36)34-16-14-33(15-17-34)25-8-2-1-3-9-25/h1-13,26-27,31H,14-20H2,(H,32,35)/t26-,27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 360n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic potency of the compound towards human melanocortin 4 receptor, determined by 50% maximum cAMP release


J Med Chem 47: 744-55 (2004)


Article DOI: 10.1021/jm0304109
BindingDB Entry DOI: 10.7270/Q2DJ5F21
More data for this
Ligand-Target Pair