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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 5' and Ligand = 'BDBM50193830'   
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 5


(Homo sapiens (Human))
BDBM50193830
PNG
(1-((3S,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)
Show SMILES O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C25H29N3O/c29-25(13-12-20-16-26-24-11-5-4-10-23(20)24)28-18-21-9-6-14-27(21)17-22(28)15-19-7-2-1-3-8-19/h1-5,7-8,10-11,16,21-22,26H,6,9,12-15,17-18H2/t21-,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC5R 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
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50193830
PNG
(1-((3S,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazi...)
Show SMILES O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C25H29N3O/c29-25(13-12-20-16-26-24-11-5-4-10-23(20)24)28-18-21-9-6-14-27(21)17-22(28)15-19-7-2-1-3-8-19/h1-5,7-8,10-11,16,21-22,26H,6,9,12-15,17-18H2/t21-,22-/m0/s1
PDB

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 MC5R 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