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42 similar compounds to monomer 50201923

Compile data set for download or QSAR
Wt: 383.7
BDBM50201892
Wt: 313.7
BDBM50201893
Wt: 307.3
BDBM50201894
Wt: 334.1
BDBM50201895
Wt: 341.7
BDBM50201896
Wt: 361.3
BDBM50201897
Wt: 313.7
BDBM50201898
Wt: 327.7
BDBM50201899
Wt: 375.8
BDBM50201901
Purchase
Wt: 327.7
BDBM50201902
Wt: 405.8
BDBM50201903
Wt: 323.3
BDBM50201904
Wt: 357.3
BDBM50201905
Wt: 375.8
BDBM50201908
Wt: 329.7
BDBM50201909
Displayed 1 to 15 (of 42 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50201892,50201893,50201894,50201895,50201896,50201897,50201898,50201899,50201901,50201902,50201903,50201904,50201905,50201908,50201909   
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))
BDBM50201901
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)
Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27)
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n/an/a 5.00E+5n/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 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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50201894
PNG
(3-hydroxy-7,8-dimethyl-2-p-tolylquinoline-4-carbox...)
Show SMILES Cc1ccc(cc1)-c1nc2c(C)c(C)ccc2c(C(O)=O)c1O
Show InChI InChI=1S/C19H17NO3/c1-10-4-7-13(8-5-10)17-18(21)15(19(22)23)14-9-6-11(2)12(3)16(14)20-17/h4-9,21H,1-3H3,(H,22,23)
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n/an/a 1.00E+6n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50201896
PNG
(2-(4-chlorophenyl)-3-hydroxy-7-isopropylquinoline-...)
Show SMILES CC(C)c1ccc2c(C(O)=O)c(O)c(nc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClNO3/c1-10(2)12-5-8-14-15(9-12)21-17(18(22)16(14)19(23)24)11-3-6-13(20)7-4-11/h3-10,22H,1-2H3,(H,23,24)
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n/an/a 1.50E+6n/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
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50201895
PNG
(8-chloro-2-(4-chlorophenyl)-3-hydroxyquinoline-4-c...)
Show SMILES OC(=O)c1c(O)c(nc2c(Cl)cccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9Cl2NO3/c17-9-6-4-8(5-7-9)13-15(20)12(16(21)22)10-2-1-3-11(18)14(10)19-13/h1-7,20H,(H,21,22)
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n/an/a 1.41E+5n/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
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50201898
PNG
(2-(4-chlorophenyl)-3-hydroxy-5-methylquinoline-4-c...)
Show SMILES Cc1cccc2nc(c(O)c(C(O)=O)c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClNO3/c1-9-3-2-4-12-13(9)14(17(21)22)16(20)15(19-12)10-5-7-11(18)8-6-10/h2-8,20H,1H3,(H,21,22)
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n/an/a 5.10E+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
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50201893
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-methylquinoline-4-c...)
Show SMILES Cc1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClNO3/c1-9-3-2-4-12-13(17(21)22)16(20)15(19-14(9)12)10-5-7-11(18)8-6-10/h2-8,20H,1H3,(H,21,22)
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n/an/a 2.12E+5n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50201893
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-methylquinoline-4-c...)
Show SMILES Cc1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClNO3/c1-9-3-2-4-12-13(17(21)22)16(20)15(19-14(9)12)10-5-7-11(18)8-6-10/h2-8,20H,1H3,(H,21,22)
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n/an/a 7.00E+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 1A


(Homo sapiens (Human))
BDBM50201901
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)
Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27)
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n/an/a 5.00E+5n/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
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))
BDBM50201903
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-(4-hydroxymethylphe...)
Show SMILES OCc1ccc(cc1)-c1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H16ClNO4/c24-16-10-8-15(9-11-16)20-22(27)19(23(28)29)18-3-1-2-17(21(18)25-20)14-6-4-13(12-26)5-7-14/h1-11,26-27H,12H2,(H,28,29)
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n/an/a 2.00E+6n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50201904
PNG
(3-hydroxy-2-(4-methoxyphenyl)-7,8-dimethylquinolin...)
Show SMILES COc1ccc(cc1)-c1nc2c(C)c(C)ccc2c(C(O)=O)c1O
Show InChI InChI=1S/C19H17NO4/c1-10-4-9-14-15(19(22)23)18(21)17(20-16(14)11(10)2)12-5-7-13(24-3)8-6-12/h4-9,21H,1-3H3,(H,22,23)
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n/an/a 1.00E+6n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50201895
PNG
(8-chloro-2-(4-chlorophenyl)-3-hydroxyquinoline-4-c...)
Show SMILES OC(=O)c1c(O)c(nc2c(Cl)cccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9Cl2NO3/c17-9-6-4-8(5-7-9)13-15(20)12(16(21)22)10-2-1-3-11(18)14(10)19-13/h1-7,20H,(H,21,22)
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n/an/a 6.00E+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
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
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50201905
PNG
(3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxyli...)
Show SMILES OC(=O)c1c(O)c(nc2ccccc12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C22H15NO4/c24-21-19(22(25)26)17-8-4-5-9-18(17)23-20(21)14-10-12-16(13-11-14)27-15-6-2-1-3-7-15/h1-13,24H,(H,25,26)
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n/an/a 7n/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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50201901
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)
Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27)
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n/an/a 1.51E+5n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50201899
PNG
(2-(4-chlorophenyl)-8-ethyl-3-hydroxyquinoline-4-ca...)
Show SMILES CCc1cccc2c(C(O)=O)c(O)c(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-2-10-4-3-5-13-14(18(22)23)17(21)16(20-15(10)13)11-6-8-12(19)9-7-11/h3-9,21H,2H2,1H3,(H,22,23)
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n/an/a 5.25E+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
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50201909
PNG
(2-(4-chlorophenyl)-3-hydroxy-6-methoxyquinoline-4-...)
Show SMILES COc1ccc2nc(c(O)c(C(O)=O)c2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClNO4/c1-23-11-6-7-13-12(8-11)14(17(21)22)16(20)15(19-13)9-2-4-10(18)5-3-9/h2-8,20H,1H3,(H,21,22)
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n/an/a 4.30E+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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50201908
PNG
(2-(4-chlorophenyl)-3-hydroxy-7-phenylquinoline-4-c...)
Show SMILES OC(=O)c1c(O)c(nc2cc(ccc12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14ClNO3/c23-16-9-6-14(7-10-16)20-21(25)19(22(26)27)17-11-8-15(12-18(17)24-20)13-4-2-1-3-5-13/h1-12,25H,(H,26,27)
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n/an/a 2.00E+6n/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 3A


(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
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50201901
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)
Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27)
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n/an/a 2.60E+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
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50201901
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)
Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27)
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n/an/a 5.50E+4n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50201901
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)
Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27)
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n/an/a 2.00E+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
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
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 (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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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))
BDBM50201897
PNG
(3-hydroxy-7,8-dimethyl-2-(4-(trifluoromethyl)pheny...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H14F3NO3/c1-9-3-8-13-14(18(25)26)17(24)16(23-15(13)10(9)2)11-4-6-12(7-5-11)19(20,21)22/h3-8,24H,1-2H3,(H,25,26)
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n/an/a 3.20E+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
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50201901
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)
Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27)
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n/an/a 1.46E+5n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens (Human))
BDBM50201892
PNG
(2-(4-chlorophenyl)-3-hydroxy-6-(trifluoromethoxy)q...)
Show SMILES OC(=O)c1c(O)c(nc2ccc(OC(F)(F)F)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H9ClF3NO4/c18-9-3-1-8(2-4-9)14-15(23)13(16(24)25)11-7-10(26-17(19,20)21)5-6-12(11)22-14/h1-7,23H,(H,24,25)
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n/an/a 6.25E+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 2C9


(Homo sapiens (Human))
BDBM50201901
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)
Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27)
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n/an/a 8.20E+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))
BDBM50201897
PNG
(3-hydroxy-7,8-dimethyl-2-(4-(trifluoromethyl)pheny...)
Show SMILES Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H14F3NO3/c1-9-3-8-13-14(18(25)26)17(24)16(23-15(13)10(9)2)11-4-6-12(7-5-11)19(20,21)22/h3-8,24H,1-2H3,(H,25,26)
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n/an/a 3.00E+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 2C8


(Homo sapiens (Human))
BDBM50201901
PNG
(2-(4-chlorophenyl)-3-hydroxy-8-phenylquinoline-4-c...)
Show SMILES OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14ClNO3/c23-15-11-9-14(10-12-15)19-21(25)18(22(26)27)17-8-4-7-16(20(17)24-19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27)
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n/an/a 4.80E+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
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50201892
PNG
(2-(4-chlorophenyl)-3-hydroxy-6-(trifluoromethoxy)q...)
Show SMILES OC(=O)c1c(O)c(nc2ccc(OC(F)(F)F)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H9ClF3NO4/c18-9-3-1-8(2-4-9)14-15(23)13(16(24)25)11-7-10(26-17(19,20)21)5-6-12(11)22-14/h1-7,23H,(H,24,25)
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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 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
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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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