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BDBM50172430 (E)-N-(4-Methyl-2-piperazin-1-yl-quinolin-6-yl)-3-(4-trifluoromethoxy-phenyl)-acrylamide::CHEMBL195351

SMILES: Cc1cc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCNCC1

InChI Key: InChIKey=FXDDFPUEYPXKQX-RUDMXATFSA-N

Data: 5 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 5 hits for monomerid = 50172430   
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
GPR145


(Homo sapiens (Human))
BDBM50172430
PNG
((E)-N-(4-Methyl-2-piperazin-1-yl-quinolin-6-yl)-3-...)
Show SMILES Cc1cc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCNCC1
Show InChI InChI=1S/C24H23F3N4O2/c1-16-14-22(31-12-10-28-11-13-31)30-21-8-5-18(15-20(16)21)29-23(32)9-4-17-2-6-19(7-3-17)33-24(25,26)27/h2-9,14-15,28H,10-13H2,1H3,(H,29,32)/b9-4+
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n/an/a>10n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of 15 pM [125I]-MCH from human MCH2R 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))
BDBM50172430
PNG
((E)-N-(4-Methyl-2-piperazin-1-yl-quinolin-6-yl)-3-...)
Show SMILES Cc1cc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCNCC1
Show InChI InChI=1S/C24H23F3N4O2/c1-16-14-22(31-12-10-28-11-13-31)30-21-8-5-18(15-20(16)21)29-23(32)9-4-17-2-6-19(7-3-17)33-24(25,26)27/h2-9,14-15,28H,10-13H2,1H3,(H,29,32)/b9-4+
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n/an/a 88n/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))
BDBM50172430
PNG
((E)-N-(4-Methyl-2-piperazin-1-yl-quinolin-6-yl)-3-...)
Show SMILES Cc1cc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCNCC1
Show InChI InChI=1S/C24H23F3N4O2/c1-16-14-22(31-12-10-28-11-13-31)30-21-8-5-18(15-20(16)21)29-23(32)9-4-17-2-6-19(7-3-17)33-24(25,26)27/h2-9,14-15,28H,10-13H2,1H3,(H,29,32)/b9-4+
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n/an/a 4n/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))
BDBM50172430
PNG
((E)-N-(4-Methyl-2-piperazin-1-yl-quinolin-6-yl)-3-...)
Show SMILES Cc1cc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCNCC1
Show InChI InChI=1S/C24H23F3N4O2/c1-16-14-22(31-12-10-28-11-13-31)30-21-8-5-18(15-20(16)21)29-23(32)9-4-17-2-6-19(7-3-17)33-24(25,26)27/h2-9,14-15,28H,10-13H2,1H3,(H,29,32)/b9-4+
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n/an/a 65n/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 2C


(Homo sapiens (Human))
BDBM50172430
PNG
((E)-N-(4-Methyl-2-piperazin-1-yl-quinolin-6-yl)-3-...)
Show SMILES Cc1cc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCNCC1
Show InChI InChI=1S/C24H23F3N4O2/c1-16-14-22(31-12-10-28-11-13-31)30-21-8-5-18(15-20(16)21)29-23(32)9-4-17-2-6-19(7-3-17)33-24(25,26)27/h2-9,14-15,28H,10-13H2,1H3,(H,29,32)/b9-4+
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n/an/a 1.10E+3n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against human 5-hydroxytryptamine 2C receptor expressed in CHO-K1 cells using [3H]-mesulergine


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