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BDBM50197123 CHEMBL214768::N-(1-(3-fluoro-4-methoxybenzyl)piperidin-4-yl)-7-fluoro-4-oxo-4H-chromene-2-carboxamide::N-[1-[(3-fluoro-4-methoxybenzyl)methyl]piperidin-4-yl]-7-fluoro-4-oxo-4H-chromene-2-carboxamide

SMILES: COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F

InChI Key: InChIKey=NKKHUNXEXXFYQF-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50197123   
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))
BDBM50197123
PNG
(CHEMBL214768 | N-(1-(3-fluoro-4-methoxybenzyl)pipe...)
Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C23H22F2N2O4/c1-30-20-5-2-14(10-18(20)25)13-27-8-6-16(7-9-27)26-23(29)22-12-19(28)17-4-3-15(24)11-21(17)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29)
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PC sid
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n/an/a 168n/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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50197123
PNG
(CHEMBL214768 | N-(1-(3-fluoro-4-methoxybenzyl)pipe...)
Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C23H22F2N2O4/c1-30-20-5-2-14(10-18(20)25)13-27-8-6-16(7-9-27)26-23(29)22-12-19(28)17-4-3-15(24)11-21(17)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29)
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n/an/a 24n/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))
BDBM50197123
PNG
(CHEMBL214768 | N-(1-(3-fluoro-4-methoxybenzyl)pipe...)
Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C23H22F2N2O4/c1-30-20-5-2-14(10-18(20)25)13-27-8-6-16(7-9-27)26-23(29)22-12-19(28)17-4-3-15(24)11-21(17)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29)
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n/an/a 24n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50197123
PNG
(CHEMBL214768 | N-(1-(3-fluoro-4-methoxybenzyl)pipe...)
Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C23H22F2N2O4/c1-30-20-5-2-14(10-18(20)25)13-27-8-6-16(7-9-27)26-23(29)22-12-19(28)17-4-3-15(24)11-21(17)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29)
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PC sid
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n/an/a 168n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 assessed as inhibition of MCH-mediated calcium release in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197123
PNG
(CHEMBL214768 | N-(1-(3-fluoro-4-methoxybenzyl)pipe...)
Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C23H22F2N2O4/c1-30-20-5-2-14(10-18(20)25)13-27-8-6-16(7-9-27)26-23(29)22-12-19(28)17-4-3-15(24)11-21(17)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29)
PDB
MMDB

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n/an/a 8.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG expressed in HEK293 cell membrane


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197123
PNG
(CHEMBL214768 | N-(1-(3-fluoro-4-methoxybenzyl)pipe...)
Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
Show InChI InChI=1S/C23H22F2N2O4/c1-30-20-5-2-14(10-18(20)25)13-27-8-6-16(7-9-27)26-23(29)22-12-19(28)17-4-3-15(24)11-21(17)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29)
PDB
MMDB

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PC cid
PC sid
UniChem
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n/an/a 8.5n/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