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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 = 'BDBM50381521'   
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))
BDBM50381521
PNG
(CHEMBL2017754)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCNS1(=O)=O
Show InChI InChI=1S/C26H27F3N6O4S/c1-17-22-16-19(32-24(36)9-4-18-2-6-21(7-3-18)39-26(27,28)29)5-8-23(22)33-25(31-17)34-13-10-20(11-14-34)35-15-12-30-40(35,37)38/h2-9,16,20,30H,10-15H2,1H3,(H,32,36)/b9-4+
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381521
PNG
(CHEMBL2017754)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCNS1(=O)=O
Show InChI InChI=1S/C26H27F3N6O4S/c1-17-22-16-19(32-24(36)9-4-18-2-6-21(7-3-18)39-26(27,28)29)5-8-23(22)33-25(31-17)34-13-10-20(11-14-34)35-15-12-30-40(35,37)38/h2-9,16,20,30H,10-15H2,1H3,(H,32,36)/b9-4+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 145n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair