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BDBM50183963 4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-ylamino)-1-methyl-6-(trifluoromethoxy)quinolin-2(1H)-one::CHEMBL210273

SMILES: Cn1c2ccc(OC(F)(F)F)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)cc1=O

InChI Key: InChIKey=FQKQTHDSMSDWPI-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50183963   
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))
BDBM50183963
PNG
(4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...)
Show SMILES Cn1c2ccc(OC(F)(F)F)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)cc1=O
Show InChI InChI=1S/C24H24F3N3O4/c1-29-20-4-3-17(34-24(25,26)27)11-18(20)19(12-23(29)31)28-16-6-8-30(9-7-16)13-15-2-5-21-22(10-15)33-14-32-21/h2-5,10-12,16,28H,6-9,13-14H2,1H3
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PC cid
PC sid
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Article
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to hERG stably transfected in HEK293 cells


Bioorg Med Chem Lett 16: 2621-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.044
BindingDB Entry DOI: 10.7270/Q2SB45CQ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50183963
PNG
(4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...)
Show SMILES Cn1c2ccc(OC(F)(F)F)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)cc1=O
Show InChI InChI=1S/C24H24F3N3O4/c1-29-20-4-3-17(34-24(25,26)27)11-18(20)19(12-23(29)31)28-16-6-8-30(9-7-16)13-15-2-5-21-22(10-15)33-14-32-21/h2-5,10-12,16,28H,6-9,13-14H2,1H3
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Article
PubMed
n/an/a 104n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of MCH-mediated calcium release in whole IMR32 cells by FLIPR


Bioorg Med Chem Lett 16: 2621-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.044
BindingDB Entry DOI: 10.7270/Q2SB45CQ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50183963
PNG
(4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...)
Show SMILES Cn1c2ccc(OC(F)(F)F)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)cc1=O
Show InChI InChI=1S/C24H24F3N3O4/c1-29-20-4-3-17(34-24(25,26)27)11-18(20)19(12-23(29)31)28-16-6-8-30(9-7-16)13-15-2-5-21-22(10-15)33-14-32-21/h2-5,10-12,16,28H,6-9,13-14H2,1H3
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Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 2621-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.044
BindingDB Entry DOI: 10.7270/Q2SB45CQ
More data for this
Ligand-Target Pair