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Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'morton' and Initial = 'b'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50036132
PNG
(15-chloromethyl-8-ethyl-8-hydroxy-(8S)-2,3,8,9,12,...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCCOc5cc4c(CCl)c3Cn1c2=O
Show InChI InChI=1S/C23H19ClN2O6/c1-2-23(29)15-6-17-20-13(9-26(17)21(27)14(15)10-32-22(23)28)12(8-24)11-5-18-19(7-16(11)25-20)31-4-3-30-18/h5-7,29H,2-4,8-10H2,1H3/t23-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase I activity was determined in vitro by using the cleavable complex assay(calf thymus)


J Med Chem 38: 395-401 (1995)


Article DOI: 10.1021/jm00003a001
BindingDB Entry DOI: 10.7270/Q2F47N67
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50036129
PNG
(14-chloromethyl-7-ethyl-7-hydroxy-(7S)-7,8,11,13-t...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(CCl)c3Cn1c2=O
Show InChI InChI=1S/C22H17ClN2O6/c1-2-22(28)14-4-16-19-12(7-25(16)20(26)13(14)8-29-21(22)27)11(6-23)10-3-17-18(31-9-30-17)5-15(10)24-19/h3-5,28H,2,6-9H2,1H3/t22-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase I activity was determined in vitro by using the cleavable complex assay(calf thymus)


J Med Chem 38: 395-401 (1995)


Article DOI: 10.1021/jm00003a001
BindingDB Entry DOI: 10.7270/Q2F47N67
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034013
PNG
((S)-9-Bromo-4-ethyl-4-hydroxy-11-methyl-1,12-dihyd...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(Br)cc4c(C)c3Cn1c2=O
Show InChI InChI=1S/C20H16BrN3O4/c1-3-20(27)13-5-15-17-11(7-24(15)18(25)12(13)8-28-19(20)26)9(2)10-4-16(21)22-6-14(10)23-17/h4-6,27H,3,7-8H2,1-2H3/t20-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


Article DOI: 10.1021/jm00007a008
BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50036133
PNG
(7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O
Show InChI InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3/t21-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit calf thymus topoisomerase I when assayed in the cleavable complex formation


Bioorg Med Chem Lett 5: 2129-2132 (1995)


Article DOI: 10.1016/0960-894X(95)00360-6
BindingDB Entry DOI: 10.7270/Q20Z7379
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034009
PNG
((S)-4,11-Diethyl-4-hydroxy-3,13-dioxo-3,4,12,13-te...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(cc12)C(N)=N
Show InChI InChI=1S/C22H21N5O4/c1-3-10-11-5-15(19(23)24)25-7-16(11)26-18-12(10)8-27-17(18)6-14-13(20(27)28)9-31-21(29)22(14,30)4-2/h5-7,30H,3-4,8-9H2,1-2H3,(H3,23,24)/t22-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
Minimum concentration that produced 50% fragmentation of DNA was measured in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


Article DOI: 10.1021/jm00007a008
BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137423
PNG
(2-(4-Chloro-3-difluoromethyl-5-phenyl-pyrazol-1-yl...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(C(F)F)c(Cl)c1-c1ccccc1
Show InChI InChI=1S/C16H12ClF2N3O2S/c1-25(23,24)11-7-8-12(20-9-11)22-15(10-5-3-2-4-6-10)13(17)14(21-22)16(18)19/h2-9,16H,1H3
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n/an/a 44n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137438
PNG
(5-Methanesulfonyl-2-[5-(4-methoxy-phenyl)-3-triflu...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-12-5-3-11(4-6-12)14-9-15(17(18,19)20)22-23(14)16-8-7-13(10-21-16)27(2,24)25/h3-10H,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-1


(Canis familiaris)
BDBM50137420
PNG
(2-[5-(4-Ethoxy-phenyl)-3-trifluoromethyl-pyrazol-1...)
Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-3-27-13-6-4-12(5-7-13)15-10-16(18(19,20)21)23-24(15)17-9-8-14(11-22-17)28(2,25)26/h4-11H,3H2,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 1.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137442
PNG
(2-[3-Difluoromethyl-5-(3-fluoro-4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1F)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-15-5-3-10(7-12(15)18)14-8-13(17(19)20)22-23(14)16-6-4-11(9-21-16)27(2,24)25/h3-9,17H,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137439
PNG
(2-[5-(2-Fluoro-4-methoxy-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(-c2cc(nn2-c2ccc(cn2)S(C)(=O)=O)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C17H13F4N3O3S/c1-27-10-3-5-12(13(18)7-10)14-8-15(17(19,20)21)23-24(14)16-6-4-11(9-22-16)28(2,25)26/h3-9H,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137435
PNG
(2-(4-Chloro-5-phenyl-3-trifluoromethyl-pyrazol-1-y...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(c(Cl)c1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H11ClF3N3O2S/c1-26(24,25)11-7-8-12(21-9-11)23-14(10-5-3-2-4-6-10)13(17)15(22-23)16(18,19)20/h2-9H,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137424
PNG
(2-[4-Chloro-5-(3-chloro-4-methoxy-phenyl)-3-difluo...)
Show SMILES COc1ccc(cc1Cl)-c1c(Cl)c(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H13Cl2F2N3O3S/c1-27-12-5-3-9(7-11(12)18)16-14(19)15(17(20)21)23-24(16)13-6-4-10(8-22-13)28(2,25)26/h3-8,17H,1-2H3
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n/an/a 62n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137411
PNG
(2-[3-Difluoromethyl-5-(4-methoxy-phenyl)-pyrazol-1...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O3S/c1-25-12-5-3-11(4-6-12)15-9-14(17(18)19)21-22(15)16-8-7-13(10-20-16)26(2,23)24/h3-10,17H,1-2H3
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n/an/a 64n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137437
PNG
(5-Methanesulfonyl-2-[5-(4-methylsulfanyl-phenyl)-3...)
Show SMILES CSc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S2/c1-26-12-5-3-11(4-6-12)14-9-15(17(18,19)20)22-23(14)16-8-7-13(10-21-16)27(2,24)25/h3-10H,1-2H3
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n/an/a 69n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034018
PNG
((S)-4,11-Diethyl-4,N-dihydroxy-3,13-dioxo-3,4,12,1...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(cc12)C(=N)NO
Show InChI InChI=1S/C22H21N5O5/c1-3-10-11-5-15(19(23)26-31)24-7-16(11)25-18-12(10)8-27-17(18)6-14-13(20(27)28)9-32-21(29)22(14,30)4-2/h5-7,30-31H,3-4,8-9H2,1-2H3,(H2,23,26)/t22-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
Minimum concentration that produced 50% fragmentation of DNA was measured in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


Article DOI: 10.1021/jm00007a008
BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50036133
PNG
(7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O
Show InChI InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3/t21-/m0/s1
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n/an/a 78n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase I activity was determined in vitro by using the cleavable complex assay(calf thymus)


J Med Chem 38: 395-401 (1995)


Article DOI: 10.1021/jm00003a001
BindingDB Entry DOI: 10.7270/Q2F47N67
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137427
PNG
(2-(4-Bromo-3-difluoromethyl-5-phenyl-pyrazol-1-yl)...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(C(F)F)c(Br)c1-c1ccccc1
Show InChI InChI=1S/C16H12BrF2N3O2S/c1-25(23,24)11-7-8-12(20-9-11)22-15(10-5-3-2-4-6-10)13(17)14(21-22)16(18)19/h2-9,16H,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137440
PNG
(CHEMBL176934 | {4-[2-(5-Methanesulfonyl-pyridin-2-...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3N4O2S/c1-24(2)13-6-4-12(5-7-13)15-10-16(18(19,20)21)23-25(15)17-9-8-14(11-22-17)28(3,26)27/h4-11H,1-3H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137414
PNG
(2-[5-(4-Chloro-phenyl)-3-difluoromethyl-pyrazol-1-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)F
Show InChI InChI=1S/C16H12ClF2N3O2S/c1-25(23,24)12-6-7-15(20-9-12)22-14(8-13(21-22)16(18)19)10-2-4-11(17)5-3-10/h2-9,16H,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137428
PNG
(2-[3-Difluoromethyl-5-(4-methylsulfanyl-phenyl)-py...)
Show SMILES CSc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O2S2/c1-25-12-5-3-11(4-6-12)15-9-14(17(18)19)21-22(15)16-8-7-13(10-20-16)26(2,23)24/h3-10,17H,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034019
PNG
((S)-9-Bromo-4,11-diethyl-4-hydroxy-1,12-dihydro-4H...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(Br)cc12
Show InChI InChI=1S/C21H18BrN3O4/c1-3-10-11-5-17(22)23-7-15(11)24-18-12(10)8-25-16(18)6-14-13(19(25)26)9-29-20(27)21(14,28)4-2/h5-7,28H,3-4,8-9H2,1-2H3/t21-/m0/s1
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n/an/a 122n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


Article DOI: 10.1021/jm00007a008
BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137420
PNG
(2-[5-(4-Ethoxy-phenyl)-3-trifluoromethyl-pyrazol-1...)
Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-3-27-13-6-4-12(5-7-13)15-10-16(18(19,20)21)23-24(15)17-9-8-14(11-22-17)28(2,25)26/h4-11H,3H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034014
PNG
((S)-4-Ethyl-4-hydroxy-11-methyl-3,13-dioxo-3,4,12,...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(cc4c(C)c3Cn1c2=O)C#N
Show InChI InChI=1S/C21H16N4O4/c1-3-21(28)15-5-17-18-13(8-25(17)19(26)14(15)9-29-20(21)27)10(2)12-4-11(6-22)23-7-16(12)24-18/h4-5,7,28H,3,8-9H2,1-2H3/t21-/m0/s1
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n/an/a 143n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


Article DOI: 10.1021/jm00007a008
BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50285229
PNG
(7-ethyl-7-hydroxy-(7S)-7,8,11,13-tetrahydro-10H-[1...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5ocnc5cc4cc3Cn1c2=O
Show InChI InChI=1S/C21H15N3O5/c1-2-21(27)13-5-16-18-11(7-24(16)19(25)12(13)8-28-20(21)26)3-10-4-15-17(29-9-22-15)6-14(10)23-18/h3-6,9,27H,2,7-8H2,1H3/t21-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit calf thymus topoisomerase I when assayed in the cleavable complex formation


Bioorg Med Chem Lett 5: 2129-2132 (1995)


Article DOI: 10.1016/0960-894X(95)00360-6
BindingDB Entry DOI: 10.7270/Q20Z7379
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034015
PNG
((S)-9-Aminomethyl-4,11-diethyl-4-hydroxy-1,12-dihy...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(CN)cc12
Show InChI InChI=1S/C22H22N4O4/c1-3-12-13-5-11(7-23)24-8-17(13)25-19-14(12)9-26-18(19)6-16-15(20(26)27)10-30-21(28)22(16,29)4-2/h5-6,8,29H,3-4,7,9-10,23H2,1-2H3/t22-/m0/s1
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n/an/a 167n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


Article DOI: 10.1021/jm00007a008
BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137412
PNG
(5-Methanesulfonyl-2-(4-methyl-5-phenyl-3-trifluoro...)
Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-15(12-6-4-3-5-7-12)23(22-16(11)17(18,19)20)14-9-8-13(10-21-14)26(2,24)25/h3-10H,1-2H3
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n/an/a 170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137434
PNG
(2-[3-Difluoromethyl-5-(4-methoxy-3-methyl-phenyl)-...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C18H17F2N3O3S/c1-11-8-12(4-6-16(11)26-2)15-9-14(18(19)20)22-23(15)17-7-5-13(10-21-17)27(3,24)25/h4-10,18H,1-3H3
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n/an/a 170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50285230
PNG
((S)-9-Amino-4-ethyl-4,8-dihydroxy-1,12-dihydro-4H-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(O)c(N)cc4cc3Cn1c2=O
Show InChI InChI=1S/C20H17N3O5/c1-2-20(27)12-5-15-17-10(3-9-4-13(21)16(24)6-14(9)22-17)7-23(15)18(25)11(12)8-28-19(20)26/h3-6,24,27H,2,7-8,21H2,1H3/t20-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit calf thymus topoisomerase I when assayed in the cleavable complex formation


Bioorg Med Chem Lett 5: 2129-2132 (1995)


Article DOI: 10.1016/0960-894X(95)00360-6
BindingDB Entry DOI: 10.7270/Q20Z7379
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137418
PNG
(2-(3-Difluoromethyl-5-p-tolyl-pyrazol-1-yl)-5-meth...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O2S/c1-11-3-5-12(6-4-11)15-9-14(17(18)19)21-22(15)16-8-7-13(10-20-16)25(2,23)24/h3-10,17H,1-2H3
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n/an/a 180n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034020
PNG
((S)-9-Aminomethyl-4-ethyl-4-hydroxy-11-methyl-8-ox...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4c[n+]([O-])c(CN)cc4c(C)c3Cn1c2=O
Show InChI InChI=1S/C21H20N4O5/c1-3-21(28)15-5-17-18-13(7-24(17)19(26)14(15)9-30-20(21)27)10(2)12-4-11(6-22)25(29)8-16(12)23-18/h4-5,8,28H,3,6-7,9,22H2,1-2H3/t21-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
Minimum concentration that produced 50% fragmentation of DNA was measured in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


Article DOI: 10.1021/jm00007a008
BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137432
PNG
(2-(3-Difluoromethyl-4-methyl-5-phenyl-pyrazol-1-yl...)
Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O2S/c1-11-15(17(18)19)21-22(16(11)12-6-4-3-5-7-12)14-9-8-13(10-20-14)25(2,23)24/h3-10,17H,1-2H3
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n/an/a 190n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-1


(Canis familiaris)
BDBM50137411
PNG
(2-[3-Difluoromethyl-5-(4-methoxy-phenyl)-pyrazol-1...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H15F2N3O3S/c1-25-12-5-3-11(4-6-12)15-9-14(17(18)19)21-22(15)16-8-7-13(10-20-16)26(2,23)24/h3-10,17H,1-2H3
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n/an/a 200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 1.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034024
PNG
(((S)-4-Ethyl-4-hydroxy-11-methyl-3,13-dioxo-8-oxy-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4c[n+]([O-])c(CNC(=O)OC(C)(C)C)cc4c(C)c3Cn1c2=O
Show InChI InChI=1S/C26H28N4O7/c1-6-26(34)18-8-20-21-16(10-29(20)22(31)17(18)12-36-23(26)32)13(2)15-7-14(30(35)11-19(15)28-21)9-27-24(33)37-25(3,4)5/h7-8,11,34H,6,9-10,12H2,1-5H3,(H,27,33)/t26-/m0/s1
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n/an/a 217n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


Article DOI: 10.1021/jm00007a008
BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034010
PNG
((S)-9-Aminomethyl-4-ethyl-4-hydroxy-11-methyl-1,12...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(CN)cc4c(C)c3Cn1c2=O
Show InChI InChI=1S/C21H20N4O4/c1-3-21(28)15-5-17-18-13(8-25(17)19(26)14(15)9-29-20(21)27)10(2)12-4-11(6-22)23-7-16(12)24-18/h4-5,7,28H,3,6,8-9,22H2,1-2H3/t21-/m0/s1
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n/an/a 232n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
Minimum concentration that produced 50% fragmentation of DNA was measured in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


Article DOI: 10.1021/jm00007a008
BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137416
PNG
(2-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C16H11F4N3O2S/c1-26(24,25)12-6-7-15(21-9-12)23-13(8-14(22-23)16(18,19)20)10-2-4-11(17)5-3-10/h2-9H,1H3
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n/an/a 240n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137413
PNG
(2-[5-(4-Chloro-phenyl)-3-trifluoromethyl-pyrazol-1...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C16H11ClF3N3O2S/c1-26(24,25)12-6-7-15(21-9-12)23-13(8-14(22-23)16(18,19)20)10-2-4-11(17)5-3-10/h2-9H,1H3
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n/an/a 250n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034016
PNG
((S)-4,11-Diethyl-4-hydroxy-3,13-dioxo-3,4,12,13-te...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnc(cc12)C#N
Show InChI InChI=1S/C22H18N4O4/c1-3-12-13-5-11(7-23)24-8-17(13)25-19-14(12)9-26-18(19)6-16-15(20(26)27)10-30-21(28)22(16,29)4-2/h5-6,8,29H,3-4,9-10H2,1-2H3/t22-/m0/s1
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n/an/a 268n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


Article DOI: 10.1021/jm00007a008
BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137415
PNG
(5-Methanesulfonyl-2-[5-(4-methoxy-3-methyl-phenyl)...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-8-12(4-6-15(11)27-2)14-9-16(18(19,20)21)23-24(14)17-7-5-13(10-22-17)28(3,25)26/h4-10H,1-3H3
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n/an/a 270n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137410
PNG
(2-[5-(4-Bromo-phenyl)-3-difluoromethyl-pyrazol-1-y...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(Br)cc1)C(F)F
Show InChI InChI=1S/C16H12BrF2N3O2S/c1-25(23,24)12-6-7-15(20-9-12)22-14(8-13(21-22)16(18)19)10-2-4-11(17)5-3-10/h2-9,16H,1H3
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n/an/a 290n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137441
PNG
(2-[5-(3-Chloro-4-methoxy-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1Cl)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H13ClF3N3O3S/c1-27-14-5-3-10(7-12(14)18)13-8-15(17(19,20)21)23-24(13)16-6-4-11(9-22-16)28(2,25)26/h3-9H,1-2H3
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50036131
PNG
(7-ethyl-7-hydroxy-14-(4-methylhexahydro-1-pyraziny...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4c(CN4CCN(C)CC4)c3Cn1c2=O
Show InChI InChI=1S/C27H28N4O6/c1-3-27(34)19-9-21-24-17(12-31(21)25(32)18(19)13-35-26(27)33)16(11-30-6-4-29(2)5-7-30)15-8-22-23(37-14-36-22)10-20(15)28-24/h8-10,34H,3-7,11-14H2,1-2H3/t27-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Glaxo Research Institute

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase I activity was determined in vitro by using the cleavable complex assay(calf thymus)


J Med Chem 38: 395-401 (1995)


Article DOI: 10.1021/jm00003a001
BindingDB Entry DOI: 10.7270/Q2F47N67
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137429
PNG
(2-[3-Difluoromethyl-5-(4-fluoro-phenyl)-pyrazol-1-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccc(F)cc1)C(F)F
Show InChI InChI=1S/C16H12F3N3O2S/c1-25(23,24)12-6-7-15(20-9-12)22-14(8-13(21-22)16(18)19)10-2-4-11(17)5-3-10/h2-9,16H,1H3
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137425
PNG
(2-(3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl)-5-...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(cc1-c1ccccc1)C(F)F
Show InChI InChI=1S/C16H13F2N3O2S/c1-24(22,23)12-7-8-15(19-10-12)21-14(9-13(20-21)16(17)18)11-5-3-2-4-6-11/h2-10,16H,1H3
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n/an/a 310n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137421
PNG
(2-[5-(3-Fluoro-4-methoxy-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1F)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O3S/c1-27-14-5-3-10(7-12(14)18)13-8-15(17(19,20)21)23-24(13)16-6-4-11(9-22-16)28(2,25)26/h3-9H,1-2H3
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n/an/a 310n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-1


(Canis familiaris)
BDBM50137423
PNG
(2-(4-Chloro-3-difluoromethyl-5-phenyl-pyrazol-1-yl...)
Show SMILES CS(=O)(=O)c1ccc(nc1)-n1nc(C(F)F)c(Cl)c1-c1ccccc1
Show InChI InChI=1S/C16H12ClF2N3O2S/c1-25(23,24)11-7-8-12(20-9-11)22-15(10-5-3-2-4-6-10)13(17)14(21-22)16(18)19/h2-9,16H,1H3
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n/an/a 330n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 1.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137436
PNG
(2-[5-(3-Chloro-4-methoxy-phenyl)-3-difluoromethyl-...)
Show SMILES COc1ccc(cc1Cl)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-26-15-5-3-10(7-12(15)18)14-8-13(17(19)20)22-23(14)16-6-4-11(9-21-16)27(2,24)25/h3-9,17H,1-2H3
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n/an/a 330n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034011
PNG
((S)-4,11-Diethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6...)
Show SMILES CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2cnccc12
Show InChI InChI=1S/C21H19N3O4/c1-3-11-12-5-6-22-8-16(12)23-18-13(11)9-24-17(18)7-15-14(19(24)25)10-28-20(26)21(15,27)4-2/h5-8,27H,3-4,9-10H2,1-2H3/t21-/m0/s1
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n/an/a 336n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


Article DOI: 10.1021/jm00007a008
BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50034030
PNG
((S)-4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,8,12...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnccc4cc3Cn1c2=O
Show InChI InChI=1S/C19H15N3O4/c1-2-19(25)13-6-15-16-11(5-10-3-4-20-7-14(10)21-16)8-22(15)17(23)12(13)9-26-18(19)24/h3-7,25H,2,8-9H2,1H3/t19-/m0/s1
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n/an/a 383n/an/an/an/an/an/a



Glaxo Inc.

Curated by ChEMBL


Assay Description
In vitro fragmentation of DNA in the presence of excess calf thymus topoisomerase.


J Med Chem 38: 1106-18 (1995)


Article DOI: 10.1021/jm00007a008
BindingDB Entry DOI: 10.7270/Q2X067P4
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137422
PNG
(2-[3-Difluoromethyl-5-(2-fluoro-4-methoxy-phenyl)-...)
Show SMILES COc1ccc(-c2cc(nn2-c2ccc(cn2)S(C)(=O)=O)C(F)F)c(F)c1
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-10-3-5-12(13(18)7-10)15-8-14(17(19)20)22-23(15)16-6-4-11(9-21-16)27(2,24)25/h3-9,17H,1-2H3
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n/an/a 390n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
Cyclooxygenase-2


(Canis familiaris)
BDBM50137417
PNG
(2-[3-Difluoromethyl-5-(4-ethyl-phenyl)-pyrazol-1-y...)
Show SMILES CCc1ccc(cc1)-c1cc(nn1-c1ccc(cn1)S(C)(=O)=O)C(F)F
Show InChI InChI=1S/C18H17F2N3O2S/c1-3-12-4-6-13(7-5-12)16-10-15(18(19)20)22-23(16)17-9-8-14(11-21-17)26(2,24)25/h4-11,18H,3H2,1-2H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cannine prostaglandin G/H synthase 2.


Bioorg Med Chem Lett 14: 95-8 (2003)


Article DOI: 10.1016/j.bmcl.2003.10.004
BindingDB Entry DOI: 10.7270/Q25B01WP
More data for this
Ligand-Target Pair
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