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BDBM50197108 CHEMBL217400::N-[1-[(3-methoxybenzyl)methyl]piperidin-4-yl]-7-fluoro-4-oxo-4H-chromene-2-carboxamide

SMILES: COc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1

InChI Key: InChIKey=AIDALYBWFLHEJP-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50197108   
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))
BDBM50197108
PNG
(CHEMBL217400 | N-[1-[(3-methoxybenzyl)methyl]piper...)
Show SMILES COc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1
Show InChI InChI=1S/C23H23FN2O4/c1-29-18-4-2-3-15(11-18)14-26-9-7-17(8-10-26)25-23(28)22-13-20(27)19-6-5-16(24)12-21(19)30-22/h2-6,11-13,17H,7-10,14H2,1H3,(H,25,28)
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PC cid
PC sid
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Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197108
PNG
(CHEMBL217400 | N-[1-[(3-methoxybenzyl)methyl]piper...)
Show SMILES COc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1
Show InChI InChI=1S/C23H23FN2O4/c1-29-18-4-2-3-15(11-18)14-26-9-7-17(8-10-26)25-23(28)22-13-20(27)19-6-5-16(24)12-21(19)30-22/h2-6,11-13,17H,7-10,14H2,1H3,(H,25,28)
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 10.4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50197108
PNG
(CHEMBL217400 | N-[1-[(3-methoxybenzyl)methyl]piper...)
Show SMILES COc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1
Show InChI InChI=1S/C23H23FN2O4/c1-29-18-4-2-3-15(11-18)14-26-9-7-17(8-10-26)25-23(28)22-13-20(27)19-6-5-16(24)12-21(19)30-22/h2-6,11-13,17H,7-10,14H2,1H3,(H,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHr1 assessed as inhibition of MCH-mediated calcium ion release in intact IMR32 cells by FLIPR assay


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair