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BDBM50183970 6-chloro-1-methyl-4-(1-(quinolin-6-ylmethyl)piperidin-4-ylamino)quinazolin-2(1H)-one::CHEMBL207308

SMILES: Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ncccc4c3)CC2)nc1=O

InChI Key: InChIKey=SSWQTWONAQNZGC-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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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 = 50183970   
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))
BDBM50183970
PNG
(6-chloro-1-methyl-4-(1-(quinolin-6-ylmethyl)piperi...)
Show SMILES Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ncccc4c3)CC2)nc1=O
Show InChI InChI=1S/C24H24ClN5O/c1-29-22-7-5-18(25)14-20(22)23(28-24(29)31)27-19-8-11-30(12-9-19)15-16-4-6-21-17(13-16)3-2-10-26-21/h2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,27,28,31)
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Article
PubMed
1.75E+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))
BDBM50183970
PNG
(6-chloro-1-methyl-4-(1-(quinolin-6-ylmethyl)piperi...)
Show SMILES Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ncccc4c3)CC2)nc1=O
Show InChI InChI=1S/C24H24ClN5O/c1-29-22-7-5-18(25)14-20(22)23(28-24(29)31)27-19-8-11-30(12-9-19)15-16-4-6-21-17(13-16)3-2-10-26-21/h2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,27,28,31)
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Article
PubMed
n/an/a 66n/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))
BDBM50183970
PNG
(6-chloro-1-methyl-4-(1-(quinolin-6-ylmethyl)piperi...)
Show SMILES Cn1c2ccc(Cl)cc2c(NC2CCN(Cc3ccc4ncccc4c3)CC2)nc1=O
Show InChI InChI=1S/C24H24ClN5O/c1-29-22-7-5-18(25)14-20(22)23(28-24(29)31)27-19-8-11-30(12-9-19)15-16-4-6-21-17(13-16)3-2-10-26-21/h2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,27,28,31)
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Article
PubMed
n/an/a 12n/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