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BDBM50172413 2-(2,4-Dichloro-phenoxy)-N-{4-methyl-2-[methyl-(2-methylamino-ethyl)-amino]-quinolin-6-yl}-acetamide::CHEMBL373084

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

InChI Key: InChIKey=ZKAMUYRESJQUBC-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 = 50172413   
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))
BDBM50172413
PNG
(2-(2,4-Dichloro-phenoxy)-N-{4-methyl-2-[methyl-(2-...)
Show SMILES CNCCN(C)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C22H24Cl2N4O2/c1-14-10-21(28(3)9-8-25-2)27-19-6-5-16(12-17(14)19)26-22(29)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12,25H,8-9,13H2,1-3H3,(H,26,29)
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PubMed
n/an/a 6.80n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50172413
PNG
(2-(2,4-Dichloro-phenoxy)-N-{4-methyl-2-[methyl-(2-...)
Show SMILES CNCCN(C)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C22H24Cl2N4O2/c1-14-10-21(28(3)9-8-25-2)27-19-6-5-16(12-17(14)19)26-22(29)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12,25H,8-9,13H2,1-3H3,(H,26,29)
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PubMed
n/an/a 770n/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))
BDBM50172413
PNG
(2-(2,4-Dichloro-phenoxy)-N-{4-methyl-2-[methyl-(2-...)
Show SMILES CNCCN(C)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C22H24Cl2N4O2/c1-14-10-21(28(3)9-8-25-2)27-19-6-5-16(12-17(14)19)26-22(29)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12,25H,8-9,13H2,1-3H3,(H,26,29)
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PubMed
n/an/a 6.90n/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))
BDBM50172413
PNG
(2-(2,4-Dichloro-phenoxy)-N-{4-methyl-2-[methyl-(2-...)
Show SMILES CNCCN(C)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C22H24Cl2N4O2/c1-14-10-21(28(3)9-8-25-2)27-19-6-5-16(12-17(14)19)26-22(29)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12,25H,8-9,13H2,1-3H3,(H,26,29)
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n/an/a 6.10n/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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50172413
PNG
(2-(2,4-Dichloro-phenoxy)-N-{4-methyl-2-[methyl-(2-...)
Show SMILES CNCCN(C)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C22H24Cl2N4O2/c1-14-10-21(28(3)9-8-25-2)27-19-6-5-16(12-17(14)19)26-22(29)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12,25H,8-9,13H2,1-3H3,(H,26,29)
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Article
PubMed
n/an/a 28n/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