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BDBM50172415 2-(2,4-Dichloro-phenoxy)-N-{2-[(2-hydroxy-ethyl)-methyl-amino]-4-methyl-quinolin-6-yl}-acetamide::CHEMBL197245

SMILES: CN(CCO)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1

InChI Key: InChIKey=FKLOHGYBYOWNQD-UHFFFAOYSA-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 = 50172415   
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))
BDBM50172415
PNG
(2-(2,4-Dichloro-phenoxy)-N-{2-[(2-hydroxy-ethyl)-m...)
Show SMILES CN(CCO)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C21H21Cl2N3O3/c1-13-9-20(26(2)7-8-27)25-18-5-4-15(11-16(13)18)24-21(28)12-29-19-6-3-14(22)10-17(19)23/h3-6,9-11,27H,7-8,12H2,1-2H3,(H,24,28)
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PubMed
n/an/a 43n/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))
BDBM50172415
PNG
(2-(2,4-Dichloro-phenoxy)-N-{2-[(2-hydroxy-ethyl)-m...)
Show SMILES CN(CCO)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C21H21Cl2N3O3/c1-13-9-20(26(2)7-8-27)25-18-5-4-15(11-16(13)18)24-21(28)12-29-19-6-3-14(22)10-17(19)23/h3-6,9-11,27H,7-8,12H2,1-2H3,(H,24,28)
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PubMed
n/an/a 5.90E+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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50172415
PNG
(2-(2,4-Dichloro-phenoxy)-N-{2-[(2-hydroxy-ethyl)-m...)
Show SMILES CN(CCO)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C21H21Cl2N3O3/c1-13-9-20(26(2)7-8-27)25-18-5-4-15(11-16(13)18)24-21(28)12-29-19-6-3-14(22)10-17(19)23/h3-6,9-11,27H,7-8,12H2,1-2H3,(H,24,28)
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n/an/a 11n/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
GPR145


(Homo sapiens (Human))
BDBM50172415
PNG
(2-(2,4-Dichloro-phenoxy)-N-{2-[(2-hydroxy-ethyl)-m...)
Show SMILES CN(CCO)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C21H21Cl2N3O3/c1-13-9-20(26(2)7-8-27)25-18-5-4-15(11-16(13)18)24-21(28)12-29-19-6-3-14(22)10-17(19)23/h3-6,9-11,27H,7-8,12H2,1-2H3,(H,24,28)
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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))
BDBM50172415
PNG
(2-(2,4-Dichloro-phenoxy)-N-{2-[(2-hydroxy-ethyl)-m...)
Show SMILES CN(CCO)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C21H21Cl2N3O3/c1-13-9-20(26(2)7-8-27)25-18-5-4-15(11-16(13)18)24-21(28)12-29-19-6-3-14(22)10-17(19)23/h3-6,9-11,27H,7-8,12H2,1-2H3,(H,24,28)
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Article
PubMed
n/an/a 2.10n/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