Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'bandresh' and Initial = 'r'   

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 (Homo sapiens (Human))	BDBM50260298 (CHEMBL4075687) Show SMILES NCc1c(c(C(O)=O)c2ccccn12)-c1ccccc1 Show InChI InChI=1S/C16H14N2O2/c17-10-13-14(11-6-2-1-3-7-11)15(16(19)20)12-8-4-5-9-18(12)13/h1-9H,10,17H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Non noncompetitive inhibition of human COX-2 preincubated for 5 mins followed by arachidonic acid substrate addition by Lineweaver-Burk plot analysis				Bioorg Med Chem 25: 4424-4432 (2017) Article DOI: 10.1016/j.bmc.2017.06.027 BindingDB Entry DOI: 10.7270/Q2X92DRP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM13066 (2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...) Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Non noncompetitive inhibition of human COX-2 preincubated for 5 mins followed by arachidonic acid substrate addition by Lineweaver-Burk plot analysis				Bioorg Med Chem 25: 4424-4432 (2017) Article DOI: 10.1016/j.bmc.2017.06.027 BindingDB Entry DOI: 10.7270/Q2X92DRP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM13066 (2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...) Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)	PDB 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	150	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 preincubated for 5 mins followed by arachidonic acid substrate addition by colorimetric enzyme immunoassay				Bioorg Med Chem 25: 4424-4432 (2017) Article DOI: 10.1016/j.bmc.2017.06.027 BindingDB Entry DOI: 10.7270/Q2X92DRP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50038649 (2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...) Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 preincubated for 5 mins followed by arachidonic acid substrate addition by colorimetric enzyme immunoassay				Bioorg Med Chem 25: 4424-4432 (2017) Article DOI: 10.1016/j.bmc.2017.06.027 BindingDB Entry DOI: 10.7270/Q2X92DRP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50038649 (2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...) Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Non noncompetitive inhibition of human COX-2 preincubated for 5 mins followed by arachidonic acid substrate addition by Lineweaver-Burk plot analysis				Bioorg Med Chem 25: 4424-4432 (2017) Article DOI: 10.1016/j.bmc.2017.06.027 BindingDB Entry DOI: 10.7270/Q2X92DRP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Non noncompetitive inhibition of human COX-2 preincubated for 5 mins followed by arachidonic acid substrate addition by Lineweaver-Burk plot analysis				Bioorg Med Chem 25: 4424-4432 (2017) Article DOI: 10.1016/j.bmc.2017.06.027 BindingDB Entry DOI: 10.7270/Q2X92DRP
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 preincubated for 5 mins followed by arachidonic acid substrate addition by colorimetric enzyme immunoassay				Bioorg Med Chem 25: 4424-4432 (2017) Article DOI: 10.1016/j.bmc.2017.06.027 BindingDB Entry DOI: 10.7270/Q2X92DRP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50260298 (CHEMBL4075687) Show SMILES NCc1c(c(C(O)=O)c2ccccn12)-c1ccccc1 Show InChI InChI=1S/C16H14N2O2/c17-10-13-14(11-6-2-1-3-7-11)15(16(19)20)12-8-4-5-9-18(12)13/h1-9H,10,17H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Non noncompetitive inhibition of human COX-2 preincubated for 5 mins followed by arachidonic acid substrate addition by Lineweaver-Burk plot analysis				Bioorg Med Chem 25: 4424-4432 (2017) Article DOI: 10.1016/j.bmc.2017.06.027 BindingDB Entry DOI: 10.7270/Q2X92DRP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50260298 (CHEMBL4075687) Show SMILES NCc1c(c(C(O)=O)c2ccccn12)-c1ccccc1 Show InChI InChI=1S/C16H14N2O2/c17-10-13-14(11-6-2-1-3-7-11)15(16(19)20)12-8-4-5-9-18(12)13/h1-9H,10,17H2,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 preincubated for 5 mins followed by arachidonic acid substrate addition by colorimetric enzyme immunoassay				Bioorg Med Chem 25: 4424-4432 (2017) Article DOI: 10.1016/j.bmc.2017.06.027 BindingDB Entry DOI: 10.7270/Q2X92DRP
					More data for this Ligand-Target Pair