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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 = 'BDBM50179137'   
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))
BDBM50179137
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C34H43ClN4O4/c35-28-12-10-24(11-13-28)20-30(37-31(40)29-21-25-6-4-5-7-26(25)22-36-29)32(41)38-16-14-34(15-17-38,27-8-2-1-3-9-27)23-39-18-19-43-33(39)42/h4-7,10-13,27,29-30,36H,1-3,8-9,14-23H2,(H,37,40)/t29-,30-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in CHO cells


Bioorg Med Chem Lett 16: 1130-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.095
BindingDB Entry DOI: 10.7270/Q2NG4Q5S
More data for this
Ligand-Target Pair
Melanocortin receptor 5


(Homo sapiens (Human))
BDBM50179137
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C34H43ClN4O4/c35-28-12-10-24(11-13-28)20-30(37-31(40)29-21-25-6-4-5-7-26(25)22-36-29)32(41)38-16-14-34(15-17-38,27-8-2-1-3-9-27)23-39-18-19-43-33(39)42/h4-7,10-13,27,29-30,36H,1-3,8-9,14-23H2,(H,37,40)/t29-,30-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 280n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity against human MC5R by cAMP accumulation


Bioorg Med Chem Lett 16: 1130-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.095
BindingDB Entry DOI: 10.7270/Q2NG4Q5S
More data for this
Ligand-Target Pair