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BDBM50150057 2-(4-Chloro-phenoxy)-N-[4-methyl-2-(4-methyl-piperazin-1-yl)-quinolin-6-yl]-acetamide::CHEMBL184717

SMILES: CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1

InChI Key: InChIKey=OKIVGPUCUWMOIH-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 = 50150057   
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))
BDBM50150057
PNG
(2-(4-Chloro-phenoxy)-N-[4-methyl-2-(4-methyl-piper...)
Show SMILES CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C23H25ClN4O2/c1-16-13-22(28-11-9-27(2)10-12-28)26-21-8-5-18(14-20(16)21)25-23(29)15-30-19-6-3-17(24)4-7-19/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)
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n/an/a 50n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Melanin-concentrating hormone 1 receptor expressed in CHO cells


J Med Chem 47: 3962-71 (2004)


Article DOI: 10.1021/jm040762v
BindingDB Entry DOI: 10.7270/Q2668CP3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50150057
PNG
(2-(4-Chloro-phenoxy)-N-[4-methyl-2-(4-methyl-piper...)
Show SMILES CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C23H25ClN4O2/c1-16-13-22(28-11-9-27(2)10-12-28)26-21-8-5-18(14-20(16)21)25-23(29)15-30-19-6-3-17(24)4-7-19/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)
PDB
MMDB

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n/an/a 2.18E+3n/an/an/an/an/an/a



Argenta Discovery Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human 5-HT2A receptor


Bioorg Med Chem Lett 14: 4099-102 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.051
BindingDB Entry DOI: 10.7270/Q2WW7H49
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50150057
PNG
(2-(4-Chloro-phenoxy)-N-[4-methyl-2-(4-methyl-piper...)
Show SMILES CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C23H25ClN4O2/c1-16-13-22(28-11-9-27(2)10-12-28)26-21-8-5-18(14-20(16)21)25-23(29)15-30-19-6-3-17(24)4-7-19/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)
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n/an/a 58n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of 150p M [125I]-MCH from human MCH1R expressed in CHO-K1 cells


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50150057
PNG
(2-(4-Chloro-phenoxy)-N-[4-methyl-2-(4-methyl-piper...)
Show SMILES CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C23H25ClN4O2/c1-16-13-22(28-11-9-27(2)10-12-28)26-21-8-5-18(14-20(16)21)25-23(29)15-30-19-6-3-17(24)4-7-19/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)
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n/an/a 349n/an/an/an/an/an/a



Argenta Discovery Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human 5-HT2B receptor


Bioorg Med Chem Lett 14: 4099-102 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.051
BindingDB Entry DOI: 10.7270/Q2WW7H49
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50150057
PNG
(2-(4-Chloro-phenoxy)-N-[4-methyl-2-(4-methyl-piper...)
Show SMILES CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C23H25ClN4O2/c1-16-13-22(28-11-9-27(2)10-12-28)26-21-8-5-18(14-20(16)21)25-23(29)15-30-19-6-3-17(24)4-7-19/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)
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n/an/a 970n/an/an/an/an/an/a



Argenta Discovery Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human 5-HT2C receptor


Bioorg Med Chem Lett 14: 4099-102 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.051
BindingDB Entry DOI: 10.7270/Q2WW7H49
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50150057
PNG
(2-(4-Chloro-phenoxy)-N-[4-methyl-2-(4-methyl-piper...)
Show SMILES CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C23H25ClN4O2/c1-16-13-22(28-11-9-27(2)10-12-28)26-21-8-5-18(14-20(16)21)25-23(29)15-30-19-6-3-17(24)4-7-19/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)
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n/an/a 71n/an/an/an/an/an/a



Argenta Discovery Limited

Curated by ChEMBL


Assay Description
Tested for MCH-1 induced [Ca2+] release from CHO cells transfected with human MCH-1R


Bioorg Med Chem Lett 14: 4099-102 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.051
BindingDB Entry DOI: 10.7270/Q2WW7H49
More data for this
Ligand-Target Pair