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BDBM50172421 (E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-methyl-quinolin-6-yl}-3-(4-trifluoromethoxy-phenyl)-acrylamide::CHEMBL189118::N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methylquinolin-6-yl)-3-(4-(trifluoromethoxy)phenyl)acrylamide

SMILES: CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1

InChI Key: InChIKey=RVSLLQIPFFIMSB-KPKJPENVSA-N

Data: 15 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 15 hits for monomerid = 50172421   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50172421
PNG
((E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C25H27F3N4O2/c1-17-15-23(32(4)14-13-31(2)3)30-22-11-8-19(16-21(17)22)29-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)/b12-7+
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n/an/a 2.30E+3n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against dopamine receptor D3


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))
BDBM50172421
PNG
((E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C25H27F3N4O2/c1-17-15-23(32(4)14-13-31(2)3)30-22-11-8-19(16-21(17)22)29-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)/b12-7+
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n/an/a 16n/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
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50172421
PNG
((E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C25H27F3N4O2/c1-17-15-23(32(4)14-13-31(2)3)30-22-11-8-19(16-21(17)22)29-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)/b12-7+
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n/an/a 480n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against muscarinic acetylcholine receptor M2


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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50172421
PNG
((E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C25H27F3N4O2/c1-17-15-23(32(4)14-13-31(2)3)30-22-11-8-19(16-21(17)22)29-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)/b12-7+
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n/an/a 1.00E+4n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against dopamine transporter


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))
BDBM50172421
PNG
((E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C25H27F3N4O2/c1-17-15-23(32(4)14-13-31(2)3)30-22-11-8-19(16-21(17)22)29-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)/b12-7+
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n/an/a 19n/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))
BDBM50172421
PNG
((E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C25H27F3N4O2/c1-17-15-23(32(4)14-13-31(2)3)30-22-11-8-19(16-21(17)22)29-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)/b12-7+
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n/an/a 900n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against 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
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50172421
PNG
((E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C25H27F3N4O2/c1-17-15-23(32(4)14-13-31(2)3)30-22-11-8-19(16-21(17)22)29-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)/b12-7+
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n/an/a 860n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against Histamine H2 receptor


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))
BDBM50172421
PNG
((E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C25H27F3N4O2/c1-17-15-23(32(4)14-13-31(2)3)30-22-11-8-19(16-21(17)22)29-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)/b12-7+
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n/an/a 16n/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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50172421
PNG
((E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C25H27F3N4O2/c1-17-15-23(32(4)14-13-31(2)3)30-22-11-8-19(16-21(17)22)29-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)/b12-7+
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n/an/a>1.00E+4n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against Histamine H1 receptor


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 2A


(Homo sapiens (Human))
BDBM50172421
PNG
((E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C25H27F3N4O2/c1-17-15-23(32(4)14-13-31(2)3)30-22-11-8-19(16-21(17)22)29-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)/b12-7+
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n/an/a 1.90E+3n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 2A receptor


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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50172421
PNG
((E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C25H27F3N4O2/c1-17-15-23(32(4)14-13-31(2)3)30-22-11-8-19(16-21(17)22)29-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)/b12-7+
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n/an/a 900n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against dopamine receptor D1


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 1B


(Homo sapiens (Human))
BDBM50172421
PNG
((E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C25H27F3N4O2/c1-17-15-23(32(4)14-13-31(2)3)30-22-11-8-19(16-21(17)22)29-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)/b12-7+
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n/an/a 800n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 1B receptor


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))
BDBM50172421
PNG
((E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C25H27F3N4O2/c1-17-15-23(32(4)14-13-31(2)3)30-22-11-8-19(16-21(17)22)29-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)/b12-7+
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n/an/a 144n/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))
BDBM50172421
PNG
((E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C25H27F3N4O2/c1-17-15-23(32(4)14-13-31(2)3)30-22-11-8-19(16-21(17)22)29-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)/b12-7+
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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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50172421
PNG
((E)-N-{2-[(2-Dimethylamino-ethyl)-methyl-amino]-4-...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C25H27F3N4O2/c1-17-15-23(32(4)14-13-31(2)3)30-22-11-8-19(16-21(17)22)29-24(33)12-7-18-5-9-20(10-6-18)34-25(26,27)28/h5-12,15-16H,13-14H2,1-4H3,(H,29,33)/b12-7+
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n/an/a 1.30E+3n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against muscarinic acetylcholine receptor M1


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