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BDBM50201902 2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline-4-carboxylicacid::CHEMBL267210

SMILES: Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1

InChI Key: InChIKey=BVCMDMYFMGSYTP-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50201902   
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
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50201902
PNG
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)
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PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human CYP2A6


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50201902
PNG
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50201902
PNG
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)
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n/an/a 4.50E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P-selectin-mediated adhesion of HL60 cells


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50201902
PNG
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50201902
PNG
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C8


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50201902
PNG
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50201902
PNG
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)
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PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50201902
PNG
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50201902
PNG
(2-(4-chlorophenyl)-3-hydroxy-7,8-dimethylquinoline...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-9-3-8-13-14(18(22)23)17(21)16(20-15(13)10(9)2)11-4-6-12(19)7-5-11/h3-8,21H,1-2H3,(H,22,23)
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n/an/a 7.20E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DHOD expressed in Escherichia coli


J Med Chem 50: 21-39 (2007)


Article DOI: 10.1021/jm0602256
BindingDB Entry DOI: 10.7270/Q2Z60PVV
More data for this
Ligand-Target Pair