Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'indalkar' and Initial = 'ks'   

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))	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins...				Bioorg Med Chem Lett 27: 1721-1726 (2017) Article DOI: 10.1016/j.bmcl.2017.02.076 BindingDB Entry DOI: 10.7270/Q2348NNB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50236985 (CHEMBL4098600) Show SMILES CC(=O)c1cccc(OC(=O)c2c3CCCCc3sc2-c2ccccc2)c1 Show InChI InChI=1S/C23H20O3S/c1-15(24)17-10-7-11-18(14-17)26-23(25)21-19-12-5-6-13-20(19)27-22(21)16-8-3-2-4-9-16/h2-4,7-11,14H,5-6,12-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins...				Bioorg Med Chem Lett 27: 1721-1726 (2017) Article DOI: 10.1016/j.bmcl.2017.02.076 BindingDB Entry DOI: 10.7270/Q2348NNB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50236980 (CHEMBL4097499) Show SMILES O=C(Oc1ccccc1)c1c2CCCCc2sc1-c1ccccc1 Show InChI InChI=1S/C21H18O2S/c22-21(23-16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)24-20(19)15-9-3-1-4-10-15/h1-6,9-12H,7-8,13-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins...				Bioorg Med Chem Lett 27: 1721-1726 (2017) Article DOI: 10.1016/j.bmcl.2017.02.076 BindingDB Entry DOI: 10.7270/Q2348NNB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50236981 (CHEMBL4086580) Show SMILES NS(=O)(=O)c1ccc(OC(=O)c2c3CCCCc3sc2-c2ccccc2)cc1 Show InChI InChI=1S/C21H19NO4S2/c22-28(24,25)16-12-10-15(11-13-16)26-21(23)19-17-8-4-5-9-18(17)27-20(19)14-6-2-1-3-7-14/h1-3,6-7,10-13H,4-5,8-9H2,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins...				Bioorg Med Chem Lett 27: 1721-1726 (2017) Article DOI: 10.1016/j.bmcl.2017.02.076 BindingDB Entry DOI: 10.7270/Q2348NNB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50236984 (CHEMBL4069250) Show SMILES CC(=O)Nc1ccc(OC(=O)c2c3CCCCc3sc2-c2ccccc2)cc1 Show InChI InChI=1S/C23H21NO3S/c1-15(25)24-17-11-13-18(14-12-17)27-23(26)21-19-9-5-6-10-20(19)28-22(21)16-7-3-2-4-8-16/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins...				Bioorg Med Chem Lett 27: 1721-1726 (2017) Article DOI: 10.1016/j.bmcl.2017.02.076 BindingDB Entry DOI: 10.7270/Q2348NNB
					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	1.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by ADHP pro...				Bioorg Med Chem Lett 27: 1721-1726 (2017) Article DOI: 10.1016/j.bmcl.2017.02.076 BindingDB Entry DOI: 10.7270/Q2348NNB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50236985 (CHEMBL4098600) Show SMILES CC(=O)c1cccc(OC(=O)c2c3CCCCc3sc2-c2ccccc2)c1 Show InChI InChI=1S/C23H20O3S/c1-15(24)17-10-7-11-18(14-17)26-23(25)21-19-12-5-6-13-20(19)27-22(21)16-8-3-2-4-9-16/h2-4,7-11,14H,5-6,12-13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by ADHP pro...				Bioorg Med Chem Lett 27: 1721-1726 (2017) Article DOI: 10.1016/j.bmcl.2017.02.076 BindingDB Entry DOI: 10.7270/Q2348NNB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50236981 (CHEMBL4086580) Show SMILES NS(=O)(=O)c1ccc(OC(=O)c2c3CCCCc3sc2-c2ccccc2)cc1 Show InChI InChI=1S/C21H19NO4S2/c22-28(24,25)16-12-10-15(11-13-16)26-21(23)19-17-8-4-5-9-18(17)27-20(19)14-6-2-1-3-7-14/h1-3,6-7,10-13H,4-5,8-9H2,(H2,22,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by ADHP pro...				Bioorg Med Chem Lett 27: 1721-1726 (2017) Article DOI: 10.1016/j.bmcl.2017.02.076 BindingDB Entry DOI: 10.7270/Q2348NNB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50236980 (CHEMBL4097499) Show SMILES O=C(Oc1ccccc1)c1c2CCCCc2sc1-c1ccccc1 Show InChI InChI=1S/C21H18O2S/c22-21(23-16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)24-20(19)15-9-3-1-4-10-15/h1-6,9-12H,7-8,13-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by ADHP pro...				Bioorg Med Chem Lett 27: 1721-1726 (2017) Article DOI: 10.1016/j.bmcl.2017.02.076 BindingDB Entry DOI: 10.7270/Q2348NNB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50236984 (CHEMBL4069250) Show SMILES CC(=O)Nc1ccc(OC(=O)c2c3CCCCc3sc2-c2ccccc2)cc1 Show InChI InChI=1S/C23H21NO3S/c1-15(25)24-17-11-13-18(14-12-17)27-23(26)21-19-9-5-6-10-20(19)28-22(21)16-7-3-2-4-8-16/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by ADHP pro...				Bioorg Med Chem Lett 27: 1721-1726 (2017) Article DOI: 10.1016/j.bmcl.2017.02.076 BindingDB Entry DOI: 10.7270/Q2348NNB
					More data for this Ligand-Target Pair