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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50193829'   
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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50193829
PNG
(CHEMBL425442 | N-(2-(1H-indol-3-yl)ethyl)-4-((3R,8...)
Show SMILES O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C28H34N4O2/c33-27(29-15-14-22-18-30-26-11-5-4-10-25(22)26)12-13-28(34)32-20-23-9-6-16-31(23)19-24(32)17-21-7-2-1-3-8-21/h1-5,7-8,10-11,18,23-24,30H,6,9,12-17,19-20H2,(H,29,33)/t23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC1R expressed in HEK293 cells


Bioorg Med Chem Lett 16: 5462-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50193829
PNG
(CHEMBL425442 | N-(2-(1H-indol-3-yl)ethyl)-4-((3R,8...)
Show SMILES O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C28H34N4O2/c33-27(29-15-14-22-18-30-26-11-5-4-10-25(22)26)12-13-28(34)32-20-23-9-6-16-31(23)19-24(32)17-21-7-2-1-3-8-21/h1-5,7-8,10-11,18,23-24,30H,6,9,12-17,19-20H2,(H,29,33)/t23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Activity at human MC1R expressed in HEK293 cells assessed by measuring intracellular cAMP accumulation


Bioorg Med Chem Lett 16: 5462-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.015
BindingDB Entry DOI: 10.7270/Q2XD11BD
More data for this
Ligand-Target Pair