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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 = 'BDBM50381382'   
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))
BDBM50381382
PNG
(CHEMBL2016774)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H30F3N5O3/c1-18-23-16-19(32-25(36)17-37-21-5-7-22(8-6-21)38-27(28,29)30)4-9-24(23)33-26(31-18)35-14-10-20(11-15-35)34-12-2-3-13-34/h4-9,16,20H,2-3,10-15,17H2,1H3,(H,32,36)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 31n/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))
BDBM50381382
PNG
(CHEMBL2016774)
Show SMILES Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C27H30F3N5O3/c1-18-23-16-19(32-25(36)17-37-21-5-7-22(8-6-21)38-27(28,29)30)4-9-24(23)33-26(31-18)35-14-10-20(11-15-35)34-12-2-3-13-34/h4-9,16,20H,2-3,10-15,17H2,1H3,(H,32,36)
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UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/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