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BDBM50197136 CHEMBL387178::N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxo-4H-chromene-2-carboxamide

SMILES: Fc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1

InChI Key: InChIKey=KWGHMJGFVYVORH-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50197136   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197136
PNG
(CHEMBL387178 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Fc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20F2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.20n/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))
BDBM50197136
PNG
(CHEMBL387178 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Fc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20F2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50197136
PNG
(CHEMBL387178 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Fc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20F2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/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