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BDBM50150073 CHEMBL184084::N-(4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl)-2-(4-(trifluoromethoxy)phenoxy)acetamide::N-[4-Methyl-2-(4-methyl-piperazin-1-yl)-quinolin-6-yl]-2-(4-trifluoromethoxy-phenoxy)-acetamide

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

InChI Key: InChIKey=KXSHHMIQRGVCEY-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50150073   
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))
BDBM50150073
PNG
(CHEMBL184084 | N-(4-methyl-2-(4-methylpiperazin-1-...)
Show SMILES CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C24H25F3N4O3/c1-16-13-22(31-11-9-30(2)10-12-31)29-21-8-3-17(14-20(16)21)28-23(32)15-33-18-4-6-19(7-5-18)34-24(25,26)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,32)
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n/an/a 2.30n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay


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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50150073
PNG
(CHEMBL184084 | N-(4-methyl-2-(4-methylpiperazin-1-...)
Show SMILES CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C24H25F3N4O3/c1-16-13-22(31-11-9-30(2)10-12-31)29-21-8-3-17(14-20(16)21)28-23(32)15-33-18-4-6-19(7-5-18)34-24(25,26)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,32)
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n/an/a 29n/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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50150073
PNG
(CHEMBL184084 | N-(4-methyl-2-(4-methylpiperazin-1-...)
Show SMILES CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C24H25F3N4O3/c1-16-13-22(31-11-9-30(2)10-12-31)29-21-8-3-17(14-20(16)21)28-23(32)15-33-18-4-6-19(7-5-18)34-24(25,26)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,32)
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n/an/a 25n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against 10 nM MCH-induced IP3 accumulation in CHO-K1 cells expressing human MCH1R after incubation with [3H]-myo-inositol


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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50150073
PNG
(CHEMBL184084 | N-(4-methyl-2-(4-methylpiperazin-1-...)
Show SMILES CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C24H25F3N4O3/c1-16-13-22(31-11-9-30(2)10-12-31)29-21-8-3-17(14-20(16)21)28-23(32)15-33-18-4-6-19(7-5-18)34-24(25,26)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,32)
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n/an/a 50n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by SPA binding assay


Bioorg Med Chem Lett 22: 3157-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.050
BindingDB Entry DOI: 10.7270/Q2D79CFJ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50150073
PNG
(CHEMBL184084 | N-(4-methyl-2-(4-methylpiperazin-1-...)
Show SMILES CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C24H25F3N4O3/c1-16-13-22(31-11-9-30(2)10-12-31)29-21-8-3-17(14-20(16)21)28-23(32)15-33-18-4-6-19(7-5-18)34-24(25,26)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,32)
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n/an/a 29n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human MCH1 receptor by SPA assay


Bioorg Med Chem Lett 16: 1070-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50150073
PNG
(CHEMBL184084 | N-(4-methyl-2-(4-methylpiperazin-1-...)
Show SMILES CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C24H25F3N4O3/c1-16-13-22(31-11-9-30(2)10-12-31)29-21-8-3-17(14-20(16)21)28-23(32)15-33-18-4-6-19(7-5-18)34-24(25,26)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,32)
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n/an/a 25n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]myo-inositol from human MCH1 receptor expressed in CHO cell by IP3 assay


Bioorg Med Chem Lett 16: 1070-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50150073
PNG
(CHEMBL184084 | N-(4-methyl-2-(4-methylpiperazin-1-...)
Show SMILES CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C24H25F3N4O3/c1-16-13-22(31-11-9-30(2)10-12-31)29-21-8-3-17(14-20(16)21)28-23(32)15-33-18-4-6-19(7-5-18)34-24(25,26)27/h3-8,13-14H,9-12,15H2,1-2H3,(H,28,32)
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n/an/a 2.30n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay


Bioorg Med Chem Lett 16: 1070-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82
More data for this
Ligand-Target Pair