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BDBM50197142 CHEMBL215631::N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-hydroxy-4-oxo-4H-chromene-2-carboxamide

SMILES: Oc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1

InChI Key: InChIKey=PPJGRQFHPGWXNI-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50197142   
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))
BDBM50197142
PNG
(CHEMBL215631 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H22N2O6/c26-16-2-3-17-18(27)11-22(31-20(17)10-16)23(28)24-15-5-7-25(8-6-15)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,15,26H,5-8,12-13H2,(H,24,28)
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Article
PubMed
n/an/a 1.48E+3n/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))
BDBM50197142
PNG
(CHEMBL215631 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H22N2O6/c26-16-2-3-17-18(27)11-22(31-20(17)10-16)23(28)24-15-5-7-25(8-6-15)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,15,26H,5-8,12-13H2,(H,24,28)
PDB
MMDB

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PubMed
n/an/a 63.7n/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))
BDBM50197142
PNG
(CHEMBL215631 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H22N2O6/c26-16-2-3-17-18(27)11-22(31-20(17)10-16)23(28)24-15-5-7-25(8-6-15)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,15,26H,5-8,12-13H2,(H,24,28)
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PubMed
n/an/a>1.00E+4n/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