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BDBM50381346 CHEMBL2016707

SMILES: CC(C)C(=O)N1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1

InChI Key: InChIKey=TZZOHEWIWJHRCC-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50381346   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50381346
PNG
(CHEMBL2016707)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C26H28F3N5O4/c1-16(2)24(36)33-10-12-34(13-11-33)25-30-17(3)21-14-18(4-9-22(21)32-25)31-23(35)15-37-19-5-7-20(8-6-19)38-26(27,28)29/h4-9,14,16H,10-13,15H2,1-3H3,(H,31,35)
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50381346
PNG
(CHEMBL2016707)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C26H28F3N5O4/c1-16(2)24(36)33-10-12-34(13-11-33)25-30-17(3)21-14-18(4-9-22(21)32-25)31-23(35)15-37-19-5-7-20(8-6-19)38-26(27,28)29/h4-9,14,16H,10-13,15H2,1-3H3,(H,31,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 36n/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