Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'khankischpur' and Initial = 'm'   

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 1 (Bos taurus)	BDBM17638 (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)	PDB MMDB Reactome pathway 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	4.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC...				Bioorg Med Chem Lett 22: 5031-4 (2012) Article DOI: 10.1016/j.bmcl.2012.06.012 BindingDB Entry DOI: 10.7270/Q27P90GC
					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	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 synthesis up to 24 hrs by radioimmuno assay				Bioorg Med Chem Lett 22: 5031-4 (2012) Article DOI: 10.1016/j.bmcl.2012.06.012 BindingDB Entry DOI: 10.7270/Q27P90GC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Bos taurus)	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 Reactome pathway 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	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC...				Bioorg Med Chem Lett 22: 5031-4 (2012) Article DOI: 10.1016/j.bmcl.2012.06.012 BindingDB Entry DOI: 10.7270/Q27P90GC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Bos taurus)	BDBM50387596 (CHEMBL2057740) Show SMILES OC(=O)c1sc2cc(Cl)ccc2c1O Show InChI InChI=1S/C9H5ClO3S/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3,11H,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC...				Bioorg Med Chem Lett 22: 5031-4 (2012) Article DOI: 10.1016/j.bmcl.2012.06.012 BindingDB Entry DOI: 10.7270/Q27P90GC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM17638 (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)	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	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 synthesis up to 24 hrs by radioimmuno assay				Bioorg Med Chem Lett 22: 5031-4 (2012) Article DOI: 10.1016/j.bmcl.2012.06.012 BindingDB Entry DOI: 10.7270/Q27P90GC
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-lipoxygenase (Bos taurus)	BDBM50387594 (CHEMBL2057741) Show SMILES OC(=O)c1sc2c(Cl)cccc2c1O Show InChI InChI=1S/C9H5ClO3S/c10-5-3-1-2-4-6(11)8(9(12)13)14-7(4)5/h1-3,11H,(H,12,13)	PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of bovine 5-LOX assessed as inhibition of calcium ionophore A23187-induced leukotrine B4 formation by reversed phase HPLC analysis				Bioorg Med Chem Lett 22: 5031-4 (2012) Article DOI: 10.1016/j.bmcl.2012.06.012 BindingDB Entry DOI: 10.7270/Q27P90GC
					More data for this Ligand-Target Pair
5-lipoxygenase (Bos taurus)	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 Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of bovine 5-LOX assessed as inhibition of calcium ionophore A23187-induced leukotrine B4 formation by reversed phase HPLC analysis				Bioorg Med Chem Lett 22: 5031-4 (2012) Article DOI: 10.1016/j.bmcl.2012.06.012 BindingDB Entry DOI: 10.7270/Q27P90GC
					More data for this Ligand-Target Pair
5-lipoxygenase (Bos taurus)	BDBM50387596 (CHEMBL2057740) Show SMILES OC(=O)c1sc2cc(Cl)ccc2c1O Show InChI InChI=1S/C9H5ClO3S/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3,11H,(H,12,13)	PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of bovine 5-LOX assessed as inhibition of calcium ionophore A23187-induced leukotrine B4 formation by reversed phase HPLC analysis				Bioorg Med Chem Lett 22: 5031-4 (2012) Article DOI: 10.1016/j.bmcl.2012.06.012 BindingDB Entry DOI: 10.7270/Q27P90GC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Bos taurus)	BDBM50387594 (CHEMBL2057741) Show SMILES OC(=O)c1sc2c(Cl)cccc2c1O Show InChI InChI=1S/C9H5ClO3S/c10-5-3-1-2-4-6(11)8(9(12)13)14-7(4)5/h1-3,11H,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC...				Bioorg Med Chem Lett 22: 5031-4 (2012) Article DOI: 10.1016/j.bmcl.2012.06.012 BindingDB Entry DOI: 10.7270/Q27P90GC
					More data for this Ligand-Target Pair
5-lipoxygenase (Bos taurus)	BDBM50387595 (CHEMBL2057739) Show SMILES COc1cccc2c(O)c(sc12)C(O)=O Show InChI InChI=1S/C10H8O4S/c1-14-6-4-2-3-5-7(11)9(10(12)13)15-8(5)6/h2-4,11H,1H3,(H,12,13)	PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of bovine 5-LOX assessed as inhibition of calcium ionophore A23187-induced leukotrine B4 formation by reversed phase HPLC analysis				Bioorg Med Chem Lett 22: 5031-4 (2012) Article DOI: 10.1016/j.bmcl.2012.06.012 BindingDB Entry DOI: 10.7270/Q27P90GC
					More data for this Ligand-Target Pair
5-lipoxygenase (Bos taurus)	BDBM50387598 (CHEMBL2057738) Show SMILES OC(=O)c1sc2ccccc2c1O Show InChI InChI=1S/C9H6O3S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4,10H,(H,11,12)	PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of bovine 5-LOX assessed as inhibition of calcium ionophore A23187-induced leukotrine B4 formation by reversed phase HPLC analysis				Bioorg Med Chem Lett 22: 5031-4 (2012) Article DOI: 10.1016/j.bmcl.2012.06.012 BindingDB Entry DOI: 10.7270/Q27P90GC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Bos taurus)	BDBM50387595 (CHEMBL2057739) Show SMILES COc1cccc2c(O)c(sc12)C(O)=O Show InChI InChI=1S/C10H8O4S/c1-14-6-4-2-3-5-7(11)9(10(12)13)15-8(5)6/h2-4,11H,1H3,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC...				Bioorg Med Chem Lett 22: 5031-4 (2012) Article DOI: 10.1016/j.bmcl.2012.06.012 BindingDB Entry DOI: 10.7270/Q27P90GC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Bos taurus)	BDBM50387597 (CHEMBL2057214) Show SMILES CC(=NNC(=O)c1sc2cc(Cl)ccc2c1O)c1ccccc1 |w:2.2| Show InChI InChI=1S/C17H13ClN2O2S/c1-10(11-5-3-2-4-6-11)19-20-17(22)16-15(21)13-8-7-12(18)9-14(13)23-16/h2-9,21H,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC...				Bioorg Med Chem Lett 22: 5031-4 (2012) Article DOI: 10.1016/j.bmcl.2012.06.012 BindingDB Entry DOI: 10.7270/Q27P90GC
					More data for this Ligand-Target Pair