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11 similar compounds to monomer 50224104

Compile data set for download or QSAR
Wt: 431.4
BDBM123439
Wt: 411.3
BDBM50057540
Purchase
Wt: 288.2
BDBM50057570
Purchase
Wt: 393.3
BDBM50057586
Wt: 402.2
BDBM50057594
Wt: 346.3
BDBM50224102
Purchase
Wt: 374.3
BDBM50224103
Wt: 316.3
BDBM50224105
Wt: 428.3
BDBM50224107
Wt: 360.3
BDBM50224108
Wt: 414.3
BDBM50224112

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 123439,50057540,50057570,50057586,50057594,50224102,50224103,50224105,50224107,50224108,50224112   
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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM123439
PNG
(US8741944, 61)
Show SMILES NC(=O)c1ccc(cc1)-n1nc(cc1-c1ccc2c(ccc3ccccc23)c1)C(F)(F)F
Show InChI InChI=1S/C25H16F3N3O/c26-25(27,28)23-14-22(31(30-23)19-10-7-16(8-11-19)24(29)32)18-9-12-21-17(13-18)6-5-15-3-1-2-4-20(15)21/h1-14H,(H2,29,32)
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US Patent
n/an/a 1.20E+4n/an/an/an/an/an/a



The Ohio State University Research Foundation

US Patent


Assay Description
PDK-1 kinase activity This in vitro assay was performed using a PDK-1 kinase assay kit (Upstate, Lake Placid, N.Y.) according to the vendor's ins...


US Patent US8741944 (2014)


BindingDB Entry DOI: 10.7270/Q2TB15M1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50057540
PNG
(4-[2-(4-Sulfamoyl-phenyl)-5-trifluoromethyl-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C17H12F3N3O4S/c18-17(19,20)15-9-14(10-1-3-11(4-2-10)16(24)25)23(22-15)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H,24,25)(H2,21,26,27)
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n/an/a>2.51E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)


J Med Chem 45: 4816-27 (2002)


Article DOI: 10.1021/jm020089e
BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50057594
PNG
(2,2,2-Trifluoro-1-{4-[5-(4-fluoro-phenyl)-3-triflu...)
Show SMILES Fc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)C(=O)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H9F7N2O/c19-12-5-1-10(2-6-12)14-9-15(17(20,21)22)26-27(14)13-7-3-11(4-8-13)16(28)18(23,24)25/h1-9H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1)


J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50057570
PNG
(1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole | CHEMB...)
Show SMILES FC(F)(F)c1cc(-c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C16H11F3N2/c17-16(18,19)15-11-14(12-7-3-1-4-8-12)21(20-15)13-9-5-2-6-10-13/h1-11H
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n/an/a 970n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1)


J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50057540
PNG
(4-[2-(4-Sulfamoyl-phenyl)-5-trifluoromethyl-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C17H12F3N3O4S/c18-17(19,20)15-9-14(10-1-3-11(4-2-10)16(24)25)23(22-15)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H,24,25)(H2,21,26,27)
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n/an/a>2.50E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1)


J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50057540
PNG
(4-[2-(4-Sulfamoyl-phenyl)-5-trifluoromethyl-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C17H12F3N3O4S/c18-17(19,20)15-9-14(10-1-3-11(4-2-10)16(24)25)23(22-15)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H,24,25)(H2,21,26,27)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2)


J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50057570
PNG
(1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole | CHEMB...)
Show SMILES FC(F)(F)c1cc(-c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C16H11F3N2/c17-16(18,19)15-11-14(12-7-3-1-4-8-12)21(20-15)13-9-5-2-6-10-13/h1-11H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2)


J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50057586
PNG
(4-[5-Difluoromethyl-2-(4-sulfamoyl-phenyl)-2H-pyra...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(O)=O)C(F)F
Show InChI InChI=1S/C17H13F2N3O4S/c18-16(19)14-9-15(10-1-3-11(4-2-10)17(23)24)22(21-14)12-5-7-13(8-6-12)27(20,25)26/h1-9,16H,(H,23,24)(H2,20,25,26)
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n/an/a 4.68E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2)


J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50057594
PNG
(2,2,2-Trifluoro-1-{4-[5-(4-fluoro-phenyl)-3-triflu...)
Show SMILES Fc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)C(=O)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H9F7N2O/c19-12-5-1-10(2-6-12)14-9-15(17(20,21)22)26-27(14)13-7-3-11(4-8-13)16(28)18(23,24)25/h1-9H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2)


J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224102
PNG
(4-(5-p-tolyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)b...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C18H13F3N2O2/c1-11-2-4-12(5-3-11)15-10-16(18(19,20)21)22-23(15)14-8-6-13(7-9-14)17(24)25/h2-10H,1H3,(H,24,25)
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n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224103
PNG
(CHEMBL440055 | ethyl 4-(5-p-tolyl-3-(trifluorometh...)
Show SMILES CCOC(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O2/c1-3-27-19(26)15-8-10-16(11-9-15)25-17(12-18(24-25)20(21,22)23)14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224105
PNG
(1,5-bis-(4-methylphenyl)-3-trifluoromethyl-pyrazol...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(C)cc1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2/c1-12-3-7-14(8-4-12)16-11-17(18(19,20)21)22-23(16)15-9-5-13(2)6-10-15/h3-11H,1-2H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224108
PNG
(2-(4-(5-p-tolyl-3-(trifluoromethyl)-1H-pyrazol-1-y...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(CC(O)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N2O2/c1-12-2-6-14(7-3-12)16-11-17(19(20,21)22)23-24(16)15-8-4-13(5-9-15)10-18(25)26/h2-9,11H,10H2,1H3,(H,25,26)
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n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224107
PNG
(CHEMBL241971 | ethyl 4-(3-(trifluoromethyl)-5-(4-(...)
Show SMILES CCOC(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H14F6N2O2/c1-2-30-18(29)13-5-9-15(10-6-13)28-16(11-17(27-28)20(24,25)26)12-3-7-14(8-4-12)19(21,22)23/h3-11H,2H2,1H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50224112
PNG
(2-(4-(3-(trifluoromethyl)-5-(4-(trifluoromethyl)ph...)
Show SMILES OC(=O)Cc1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H12F6N2O2/c20-18(21,22)13-5-3-12(4-6-13)15-10-16(19(23,24)25)26-27(15)14-7-1-11(2-8-14)9-17(28)29/h1-8,10H,9H2,(H,28,29)
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n/an/a 2.50E+4n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C9 by fluorescence inhibition assay


J Med Chem 50: 5382-91 (2007)


Article DOI: 10.1021/jm070745g
BindingDB Entry DOI: 10.7270/Q2TB16MF
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50057540
PNG
(4-[2-(4-Sulfamoyl-phenyl)-5-trifluoromethyl-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C17H12F3N3O4S/c18-17(19,20)15-9-14(10-1-3-11(4-2-10)16(24)25)23(22-15)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H,24,25)(H2,21,26,27)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


J Med Chem 45: 4816-27 (2002)


Article DOI: 10.1021/jm020089e
BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50057586
PNG
(4-[5-Difluoromethyl-2-(4-sulfamoyl-phenyl)-2H-pyra...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(O)=O)C(F)F
Show InChI InChI=1S/C17H13F2N3O4S/c18-16(19)14-9-15(10-1-3-11(4-2-10)17(23)24)22(21-14)12-5-7-13(8-6-12)27(20,25)26/h1-9,16H,(H,23,24)(H2,20,25,26)
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n/an/a 4.68E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


J Med Chem 45: 4816-27 (2002)


Article DOI: 10.1021/jm020089e
BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50057586
PNG
(4-[5-Difluoromethyl-2-(4-sulfamoyl-phenyl)-2H-pyra...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(O)=O)C(F)F
Show InChI InChI=1S/C17H13F2N3O4S/c18-16(19)14-9-15(10-1-3-11(4-2-10)17(23)24)22(21-14)12-5-7-13(8-6-12)27(20,25)26/h1-9,16H,(H,23,24)(H2,20,25,26)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)


J Med Chem 45: 4816-27 (2002)


Article DOI: 10.1021/jm020089e
BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50057586
PNG
(4-[5-Difluoromethyl-2-(4-sulfamoyl-phenyl)-2H-pyra...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(O)=O)C(F)F
Show InChI InChI=1S/C17H13F2N3O4S/c18-16(19)14-9-15(10-1-3-11(4-2-10)17(23)24)22(21-14)12-5-7-13(8-6-12)27(20,25)26/h1-9,16H,(H,23,24)(H2,20,25,26)
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1)


J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair