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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanin-concentrating hormone receptor' and Ligand = 'BDBM50193639'   
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


(Homo sapiens (human))
BDBM50193639
PNG
((E)-N-(4-methoxy-2-propylquinolin-6-yl)-3-(4-(trif...)
Show SMILES CCCc1cc(OC)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C23H21F3N2O2/c1-3-4-17-14-21(30-2)19-13-18(10-11-20(19)27-17)28-22(29)12-7-15-5-8-16(9-6-15)23(24,25)26/h5-14H,3-4H2,1-2H3,(H,28,29)/b12-7+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-[Phe13,Tyr19]-MCH from human MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50193639
PNG
((E)-N-(4-methoxy-2-propylquinolin-6-yl)-3-(4-(trif...)
Show SMILES CCCc1cc(OC)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C23H21F3N2O2/c1-3-4-17-14-21(30-2)19-13-18(10-11-20(19)27-17)28-22(29)12-7-15-5-8-16(9-6-15)23(24,25)26/h5-14H,3-4H2,1-2H3,(H,28,29)/b12-7+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 360n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of IP3-coupled mobilization of calcium in HEK293 cells expressing MCH-R1


Bioorg Med Chem Lett 16: 5275-9 (2006)

More data for this
Ligand-Target Pair