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SMILES: Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ccccc4c3)CC2)nc1=O

InChI Key: InChIKey=QDLQBKBQLRPJEG-UHFFFAOYSA-N

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

Found 3 hits for monomerid = 50183968   
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))
BDBM50183968
PNG
(6-chloro-1-methyl-4-(1-(naphthalen-2-ylmethyl)pipe...)
Show SMILES Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ccccc4c3)CC2)nc1=O
Show InChI InChI=1S/C25H25ClN4O/c1-29-23-9-8-20(26)15-22(23)24(28-25(29)31)27-21-10-12-30(13-11-21)16-17-6-7-18-4-2-3-5-19(18)14-17/h2-9,14-15,21H,10-13,16H2,1H3,(H,27,28,31)
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MMDB

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Article
PubMed
160n/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))
BDBM50183968
PNG
(6-chloro-1-methyl-4-(1-(naphthalen-2-ylmethyl)pipe...)
Show SMILES Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ccccc4c3)CC2)nc1=O
Show InChI InChI=1S/C25H25ClN4O/c1-29-23-9-8-20(26)15-22(23)24(28-25(29)31)27-21-10-12-30(13-11-21)16-17-6-7-18-4-2-3-5-19(18)14-17/h2-9,14-15,21H,10-13,16H2,1H3,(H,27,28,31)
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n/an/a 7n/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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50183968
PNG
(6-chloro-1-methyl-4-(1-(naphthalen-2-ylmethyl)pipe...)
Show SMILES Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ccccc4c3)CC2)nc1=O
Show InChI InChI=1S/C25H25ClN4O/c1-29-23-9-8-20(26)15-22(23)24(28-25(29)31)27-21-10-12-30(13-11-21)16-17-6-7-18-4-2-3-5-19(18)14-17/h2-9,14-15,21H,10-13,16H2,1H3,(H,27,28,31)
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n/an/a 72n/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