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Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'lamie' and Initial = 'pf'   
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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 3093-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.004
BindingDB Entry DOI: 10.7270/Q2930W40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50563094
PNG
(CHEMBL4753913)
Show SMILES COc1ccc(\C=C2\N=C(N(NC2=O)C(=O)Cc2nc3n(nc(C)c3c(=O)[nH]2)-c2ccccc2)c2ccc(Cl)cc2)cc1 |c:8|
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n/an/a 227n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR T790M mutant (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113222
BindingDB Entry DOI: 10.7270/Q2KK9GKK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-1 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/a 300n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of Abl (unknown origin)


Bioorg Med Chem Lett 26: 3093-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.004
BindingDB Entry DOI: 10.7270/Q2930W40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50563093
PNG
(CHEMBL4759405)
Show SMILES Cc1nn(-c2ccccc2)c2nc(CC(=O)N3NC(=O)\C(=C/c4ccc(Cl)cc4)N=C3c3ccc(C)cc3)[nH]c(=O)c12 |c:31|
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n/an/a 422n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR T790M mutant (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113222
BindingDB Entry DOI: 10.7270/Q2KK9GKK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 630n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-1 assessed as appearance of oxidized TMPD level by EIA method


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.08.013
BindingDB Entry DOI: 10.7270/Q2KD22K7
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50563093
PNG
(CHEMBL4759405)
Show SMILES Cc1nn(-c2ccccc2)c2nc(CC(=O)N3NC(=O)\C(=C/c4ccc(Cl)cc4)N=C3c3ccc(C)cc3)[nH]c(=O)c12 |c:31|
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n/an/a 634n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HER2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113222
BindingDB Entry DOI: 10.7270/Q2KK9GKK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50563092
PNG
(CHEMBL4790553)
Show SMILES Cc1nn(-c2ccccc2)c2nc(CC(=O)N3NC(=O)\C(=C/c4ccccc4)N=C3c3ccccc3)[nH]c(=O)c12 |c:30|
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n/an/a 656n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR T790M mutant (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113222
BindingDB Entry DOI: 10.7270/Q2KK9GKK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558127
PNG
(CHEMBL4750876)
Show SMILES COc1ccc(\C=C\C(=O)c2sc(nc2C)-c2ccccc2)cc1OC
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n/an/a 740n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-2 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50563094
PNG
(CHEMBL4753913)
Show SMILES COc1ccc(\C=C2\N=C(N(NC2=O)C(=O)Cc2nc3n(nc(C)c3c(=O)[nH]2)-c2ccccc2)c2ccc(Cl)cc2)cc1 |c:8|
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n/an/a 866n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HER2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113222
BindingDB Entry DOI: 10.7270/Q2KK9GKK
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50563092
PNG
(CHEMBL4790553)
Show SMILES Cc1nn(-c2ccccc2)c2nc(CC(=O)N3NC(=O)\C(=C/c4ccccc4)N=C3c3ccccc3)[nH]c(=O)c12 |c:30|
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n/an/a 872n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HER2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113222
BindingDB Entry DOI: 10.7270/Q2KK9GKK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558354
PNG
(CHEMBL4777014)
Show SMILES Cc1ccc(cc1)C(=O)n1cc(\C=N\n2cnnc2)c2ccccc12
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n/an/a 980n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-2 assessed as appearance of oxidized TMPD level by EIA method


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.08.013
BindingDB Entry DOI: 10.7270/Q2KD22K7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558357
PNG
(CHEMBL4777572)
Show SMILES Cc1c(\N=C\c2cn(C(=O)c3ccccc3)c3ccccc23)c(=O)n(-c2ccccc2)n1C
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n/an/a 1.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-2 assessed as appearance of oxidized TMPD level by EIA method


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.08.013
BindingDB Entry DOI: 10.7270/Q2KD22K7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558131
PNG
(CHEMBL4778023)
Show SMILES COc1cc(cc(OC)c1OC)[C@@H]1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1sc(nc1C)-c1ccccc1 |r,c:15|
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n/an/a 1.14E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-2 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558355
PNG
(CHEMBL4762884)
Show SMILES Clc1ccc(cc1)C(=O)n1cc(\C=N\n2cnnc2)c2ccccc12
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n/an/a 1.23E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-2 assessed as appearance of oxidized TMPD level by EIA method


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.08.013
BindingDB Entry DOI: 10.7270/Q2KD22K7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558125
PNG
(CHEMBL4785437)
Show SMILES COc1cccc([C@@H]2CC(=NN2c2ccc(cc2)S(C)(=O)=O)c2sc(nc2C)-c2ccccc2)c1OC |r,c:9|
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n/an/a 1.23E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-2 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50174972
PNG
(CHEMBL3809582)
Show SMILES Cc1nn(-c2ccccc2)c2nc(CNc3ccccc3)[nH]c(=O)c12
Show InChI InChI=1S/C19H17N5O/c1-13-17-18(24(23-13)15-10-6-3-7-11-15)21-16(22-19(17)25)12-20-14-8-4-2-5-9-14/h2-11,20H,12H2,1H3,(H,21,22,25)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 3093-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.004
BindingDB Entry DOI: 10.7270/Q2930W40
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558129
PNG
(CHEMBL4787167)
Show SMILES COC(=O)c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1sc(nc1C)-c1ccccc1
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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-2 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558126
PNG
(CHEMBL4789752)
Show SMILES COc1cc(\C=C\C(=O)c2sc(nc2C)-c2ccccc2)cc(OC)c1OC
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n/an/a 1.46E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-2 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 1.54E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-2 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 1.54E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-2 assessed as appearance of oxidized TMPD level by EIA method


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.08.013
BindingDB Entry DOI: 10.7270/Q2KD22K7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558359
PNG
(CHEMBL4778301)
Show SMILES Cc1c(\N=C\c2cn(C(=O)c3ccc(Cl)cc3)c3ccccc23)c(=O)n(-c2ccccc2)n1C
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n/an/a 1.74E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-2 assessed as appearance of oxidized TMPD level by EIA method


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.08.013
BindingDB Entry DOI: 10.7270/Q2KD22K7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558130
PNG
(CHEMBL4798825)
Show SMILES COC(=O)c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1sc(nc1C)-c1ccccc1
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n/an/a 1.76E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-2 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50563091
PNG
(CHEMBL4780210)
Show SMILES Cc1nn(-c2ccccc2)c2nc([nH]c(=O)c12)C(=O)N1NC(=O)\C(=C\c2ccc(Cl)cc2)N=C1c1ccc(C)cc1 |c:36|
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n/an/a 1.89E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR T790M mutant (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113222
BindingDB Entry DOI: 10.7270/Q2KK9GKK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558128
PNG
(CHEMBL4746534)
Show SMILES COc1cccc(\C=C\C(=O)c2sc(nc2C)-c2ccccc2)c1OC
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n/an/a 1.89E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-2 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558123
PNG
(CHEMBL4789069)
Show SMILES COc1cc(cc(OC)c1OC)[C@@H]1CC(=NN1c1ccc(cc1)S(C)(=O)=O)c1sc(nc1C)-c1ccccc1 |r,c:15|
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n/an/a 1.98E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-2 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50174975
PNG
(CHEMBL3808727)
Show SMILES Cc1nn(-c2ccccc2)c2nc(CNc3ccc(O)cc3)[nH]c(=O)c12
Show InChI InChI=1S/C19H17N5O2/c1-12-17-18(24(23-12)14-5-3-2-4-6-14)21-16(22-19(17)26)11-20-13-7-9-15(25)10-8-13/h2-10,20,25H,11H2,1H3,(H,21,22,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 3093-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.004
BindingDB Entry DOI: 10.7270/Q2930W40
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558360
PNG
(CHEMBL3212526)
Show SMILES C(c1ccccc1)n1cc(\C=N\n2cnnc2)c2ccccc12
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n/an/a 2.01E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-2 assessed as appearance of oxidized TMPD level by EIA method


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.08.013
BindingDB Entry DOI: 10.7270/Q2KD22K7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558353
PNG
(CHEMBL4785230)
Show SMILES O=C(c1ccccc1)n1cc(\C=N\n2cnnc2)c2ccccc12
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n/an/a 2.19E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-2 assessed as appearance of oxidized TMPD level by EIA method


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.08.013
BindingDB Entry DOI: 10.7270/Q2KD22K7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558358
PNG
(CHEMBL4795272)
Show SMILES Cc1c(\N=C\c2cn(C(=O)c3ccc(C)cc3)c3ccccc23)c(=O)n(-c2ccccc2)n1C
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n/an/a 2.23E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-2 assessed as appearance of oxidized TMPD level by EIA method


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.08.013
BindingDB Entry DOI: 10.7270/Q2KD22K7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558121
PNG
(CHEMBL4765087)
Show SMILES COc1ccc(cc1OC)[C@@H]1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1sc(nc1C)-c1ccccc1 |r,c:13|
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n/an/a 2.37E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-2 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-2 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558356
PNG
(CHEMBL4747604)
Show SMILES Cc1c(\N=C\c2cn(Cc3ccccc3)c3ccccc23)c(=O)n(-c2ccccc2)n1C
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n/an/a 2.61E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-2 assessed as appearance of oxidized TMPD level by EIA method


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.08.013
BindingDB Entry DOI: 10.7270/Q2KD22K7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin)


Bioorg Med Chem Lett 26: 3093-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.004
BindingDB Entry DOI: 10.7270/Q2930W40
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558124
PNG
(CHEMBL4764063)
Show SMILES COc1ccc(cc1OC)[C@@H]1CC(=NN1c1ccc(cc1)S(C)(=O)=O)c1sc(nc1C)-c1ccccc1 |r,c:13|
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n/an/a 2.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-2 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50558122
PNG
(CHEMBL4764950)
Show SMILES COc1cccc([C@@H]2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2sc(nc2C)-c2ccccc2)c1OC |r,c:9|
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n/an/a 3.21E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-2 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50558127
PNG
(CHEMBL4750876)
Show SMILES COc1ccc(\C=C\C(=O)c2sc(nc2C)-c2ccccc2)cc1OC
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n/an/a 3.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-1 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50174974
PNG
(CHEMBL3809900)
Show SMILES Cc1nn(-c2ccccc2)c2nc(CNc3ccc(C)cc3)[nH]c(=O)c12
Show InChI InChI=1S/C20H19N5O/c1-13-8-10-15(11-9-13)21-12-17-22-19-18(20(26)23-17)14(2)24-25(19)16-6-4-3-5-7-16/h3-11,21H,12H2,1-2H3,(H,22,23,26)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin)


Bioorg Med Chem Lett 26: 3093-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.004
BindingDB Entry DOI: 10.7270/Q2930W40
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50558131
PNG
(CHEMBL4778023)
Show SMILES COc1cc(cc(OC)c1OC)[C@@H]1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1sc(nc1C)-c1ccccc1 |r,c:15|
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n/an/a 5.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-1 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50558129
PNG
(CHEMBL4787167)
Show SMILES COC(=O)c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1sc(nc1C)-c1ccccc1
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n/an/a 6.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-1 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50558125
PNG
(CHEMBL4785437)
Show SMILES COc1cccc([C@@H]2CC(=NN2c2ccc(cc2)S(C)(=O)=O)c2sc(nc2C)-c2ccccc2)c1OC |r,c:9|
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n/an/a 6.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-1 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50558126
PNG
(CHEMBL4789752)
Show SMILES COc1cc(\C=C\C(=O)c2sc(nc2C)-c2ccccc2)cc(OC)c1OC
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n/an/a 6.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-1 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50558130
PNG
(CHEMBL4798825)
Show SMILES COC(=O)c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1sc(nc1C)-c1ccccc1
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n/an/a 6.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-1 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50558128
PNG
(CHEMBL4746534)
Show SMILES COc1cccc(\C=C\C(=O)c2sc(nc2C)-c2ccccc2)c1OC
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n/an/a 7.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-1 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50558123
PNG
(CHEMBL4789069)
Show SMILES COc1cc(cc(OC)c1OC)[C@@H]1CC(=NN1c1ccc(cc1)S(C)(=O)=O)c1sc(nc1C)-c1ccccc1 |r,c:15|
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n/an/a 7.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-1 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 7.59E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-1 assessed as appearance of oxidized TMPD level by EIA method


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.08.013
BindingDB Entry DOI: 10.7270/Q2KD22K7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 7.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-1 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50558357
PNG
(CHEMBL4777572)
Show SMILES Cc1c(\N=C\c2cn(C(=O)c3ccccc3)c3ccccc23)c(=O)n(-c2ccccc2)n1C
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n/an/a 7.65E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-1 assessed as appearance of oxidized TMPD level by EIA method


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.08.013
BindingDB Entry DOI: 10.7270/Q2KD22K7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50558354
PNG
(CHEMBL4777014)
Show SMILES Cc1ccc(cc1)C(=O)n1cc(\C=N\n2cnnc2)c2ccccc12
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n/an/a 7.89E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-1 assessed as appearance of oxidized TMPD level by EIA method


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.08.013
BindingDB Entry DOI: 10.7270/Q2KD22K7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50558124
PNG
(CHEMBL4764063)
Show SMILES COc1ccc(cc1OC)[C@@H]1CC(=NN1c1ccc(cc1)S(C)(=O)=O)c1sc(nc1C)-c1ccccc1 |r,c:13|
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n/an/a 8.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Ovine COX-1 assessed as decrease in prostaglandin production using arachidonic acid as substrate pretreated for 15 mins followed by sub...


Citation and Details

Article DOI: 10.1016/j.bmcl.2016.04.046
BindingDB Entry DOI: 10.7270/Q2WW7NC3
More data for this
Ligand-Target Pair
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