Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'dighe' and Initial = 'pr'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM123791 (1-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol...) Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1CNC(=S)Nc1ccccc1 Show InChI InChI=1S/C18H18N4OS/c1-13-16(12-19-18(24)20-14-8-4-2-5-9-14)17(23)22(21-13)15-10-6-3-7-11-15/h2-11,21H,12H2,1H3,(H2,19,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM11639 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM123793 (4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazo...) Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1CNc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H18N4O3S/c1-12-16(17(22)21(20-12)14-5-3-2-4-6-14)11-19-13-7-9-15(10-8-13)25(18,23)24/h2-10,19-20H,11H2,1H3,(H2,18,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM123788 (1-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol...) Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1CNC(N)=O Show InChI InChI=1S/C12H14N4O2/c1-8-10(7-14-12(13)18)11(17)16(15-8)9-5-3-2-4-6-9/h2-6,15H,7H2,1H3,(H3,13,14,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM38550 (3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE | 5-methyl-2-p...) Show SMILES Cc1cc(=O)n([nH]1)-c1ccccc1 Show InChI InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM123792 (1-((3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol...) Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1CN=C(N)N |(3.01,-5.93,;2.1,-4.68,;2.58,-3.22,;1.33,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;.09,-3.22,;-1.38,-2.74,;.56,-4.68,;-.34,-5.93,;.28,-7.33,;-.62,-8.58,;.01,-9.99,;-2.15,-8.42,)| Show InChI InChI=1S/C12H15N5O/c1-8-10(7-15-12(13)14)11(18)17(16-8)9-5-3-2-4-6-9/h2-6,16H,7H2,1H3,(H4,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.07E+4	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM123791 (1-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol...) Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1CNC(=S)Nc1ccccc1 Show InChI InChI=1S/C18H18N4OS/c1-13-16(12-19-18(24)20-14-8-4-2-5-9-14)17(23)22(21-13)15-10-6-3-7-11-15/h2-11,21H,12H2,1H3,(H2,19,20,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM123790 (1-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol...) Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1CNC(N)=S Show InChI InChI=1S/C12H14N4OS/c1-8-10(7-14-12(13)18)11(17)16(15-8)9-5-3-2-4-6-9/h2-6,15H,7H2,1H3,(H3,13,14,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM123794 (N-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol...) Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1CNC(=O)NN Show InChI InChI=1S/C12H15N5O2/c1-8-10(7-14-12(19)15-13)11(18)17(16-8)9-5-3-2-4-6-9/h2-6,16H,7,13H2,1H3,(H2,14,15,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Ovis aries (Sheep))	BDBM123789 (1-(4-chlorophenyl)-3-[(3-methyl-5-oxo-1-phenyl-4,5...) Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1CNC(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN4O2/c1-12-16(17(24)23(22-12)15-5-3-2-4-6-15)11-20-18(25)21-14-9-7-13(19)8-10-14/h2-10,22H,11H2,1H3,(H2,20,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM11639 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM123794 (N-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol...) Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1CNC(=O)NN Show InChI InChI=1S/C12H15N5O2/c1-8-10(7-14-12(19)15-13)11(18)17(16-8)9-5-3-2-4-6-9/h2-6,16H,7,13H2,1H3,(H2,14,15,19)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM123793 (4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazo...) Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1CNc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H18N4O3S/c1-12-16(17(22)21(20-12)14-5-3-2-4-6-14)11-19-13-7-9-15(10-8-13)25(18,23)24/h2-10,19-20H,11H2,1H3,(H2,18,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM123792 (1-((3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol...) Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1CN=C(N)N |(3.01,-5.93,;2.1,-4.68,;2.58,-3.22,;1.33,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;.09,-3.22,;-1.38,-2.74,;.56,-4.68,;-.34,-5.93,;.28,-7.33,;-.62,-8.58,;.01,-9.99,;-2.15,-8.42,)| Show InChI InChI=1S/C12H15N5O/c1-8-10(7-15-12(13)14)11(18)17(16-8)9-5-3-2-4-6-9/h2-6,16H,7H2,1H3,(H4,13,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM123790 (1-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol...) Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1CNC(N)=S Show InChI InChI=1S/C12H14N4OS/c1-8-10(7-14-12(13)18)11(17)16(15-8)9-5-3-2-4-6-9/h2-6,15H,7H2,1H3,(H3,13,14,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM123789 (1-(4-chlorophenyl)-3-[(3-methyl-5-oxo-1-phenyl-4,5...) Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1CNC(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN4O2/c1-12-16(17(24)23(22-12)15-5-3-2-4-6-15)11-20-18(25)21-14-9-7-13(19)8-10-14/h2-10,22H,11H2,1H3,(H2,20,21,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM38550 (3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE | 5-methyl-2-p...) Show SMILES Cc1cc(=O)n([nH]1)-c1ccccc1 Show InChI InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM123788 (1-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol...) Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1CNC(N)=O Show InChI InChI=1S/C12H14N4O2/c1-8-10(7-14-12(13)18)11(17)16(15-8)9-5-3-2-4-6-9/h2-6,15H,7H2,1H3,(H3,13,14,18)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	37
Y. B. Chavan College of Pharmacy					Assay Description The COX-1/COX-2 inhibition assay was done using an enzyme immunoassay (EIA) kit. The reaction buffer (960 uL), containing 0.1 M Tris-HCl (pH 8.0), 5...				Chem Biol Drug Des 84: 409-19 (2014) Article DOI: 10.1111/cbdd.12324 BindingDB Entry DOI: 10.7270/Q24M937V
					More data for this Ligand-Target Pair