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SMILES: Clc1ccc2n(Cc3ccccn3)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1

InChI Key: InChIKey=XKVMOBBNFSXUMW-UHFFFAOYSA-N

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

Found 3 hits for monomerid = 50183953   
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))
BDBM50183953
PNG
(4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...)
Show SMILES Clc1ccc2n(Cc3ccccn3)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Show InChI InChI=1S/C28H27ClN4O3/c29-20-5-6-25-23(14-20)24(15-28(34)33(25)17-22-3-1-2-10-30-22)31-21-8-11-32(12-9-21)16-19-4-7-26-27(13-19)36-18-35-26/h1-7,10,13-15,21,31H,8-9,11-12,16-18H2
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Article
PubMed
550n/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))
BDBM50183953
PNG
(4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...)
Show SMILES Clc1ccc2n(Cc3ccccn3)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Show InChI InChI=1S/C28H27ClN4O3/c29-20-5-6-25-23(14-20)24(15-28(34)33(25)17-22-3-1-2-10-30-22)31-21-8-11-32(12-9-21)16-19-4-7-26-27(13-19)36-18-35-26/h1-7,10,13-15,21,31H,8-9,11-12,16-18H2
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PubMed
n/an/a 20n/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))
BDBM50183953
PNG
(4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...)
Show SMILES Clc1ccc2n(Cc3ccccn3)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Show InChI InChI=1S/C28H27ClN4O3/c29-20-5-6-25-23(14-20)24(15-28(34)33(25)17-22-3-1-2-10-30-22)31-21-8-11-32(12-9-21)16-19-4-7-26-27(13-19)36-18-35-26/h1-7,10,13-15,21,31H,8-9,11-12,16-18H2
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Article
PubMed
n/an/a 1.20n/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