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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanin-concentrating hormone receptor 1' and Ligand = 'BDBM50381383'   
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381383
PNG
(CHEMBL2016775)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C27H30F3N5O4/c1-18-23-16-19(32-25(36)17-38-21-3-5-22(6-4-21)39-27(28,29)30)2-7-24(23)33-26(31-18)35-10-8-20(9-11-35)34-12-14-37-15-13-34/h2-7,16,20H,8-15,17H2,1H3,(H,32,36)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381383
PNG
(CHEMBL2016775)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C27H30F3N5O4/c1-18-23-16-19(32-25(36)17-38-21-3-5-22(6-4-21)39-27(28,29)30)2-7-24(23)33-26(31-18)35-10-8-20(9-11-35)34-12-14-37-15-13-34/h2-7,16,20H,8-15,17H2,1H3,(H,32,36)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH peptide mediated response measuring [3H]inositol phosphate...


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair