Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'qureshi' and Initial = 'g'   

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
Lipoxygenase (Glycine max (Soybean))	BDBM192705 (7-(2-hydroxy-3-(6-methoxybenzo[d]thiazol-2-ylamino...) Show SMILES COc1ccc2nc(NCC(O)COc3ccc4c(C)cc(=O)oc4c3)sc2c1 Show InChI InChI=1S/C21H20N2O5S/c1-12-7-20(25)28-18-8-15(3-5-16(12)18)27-11-13(24)10-22-21-23-17-6-4-14(26-2)9-19(17)29-21/h3-9,13,24H,10-11H2,1-2H3,(H,22,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.12	n/a	n/a	n/a	n/a	9.0	25
Nirma University					Assay Description It is determined by kinetic mode of spectro-photometric determination method,which was performed by recording the rate of change in absorbance at 234...				Bioorg Chem 67: 130-8 (2016) Article DOI: 10.1016/j.bioorg.2016.06.004 BindingDB Entry DOI: 10.7270/Q2M907GG
					More data for this Ligand-Target Pair
Lipoxygenase (Glycine max (Soybean))	BDBM192703 (7-(3-(6-chlorobenzo[d]thiazol-2-ylamino)-2-hydroxy...) Show SMILES Cc1cc(=O)oc2cc(OCC(O)CNc3nc4ccc(Cl)cc4s3)ccc12 Show InChI InChI=1S/C20H17ClN2O4S/c1-11-6-19(25)27-17-8-14(3-4-15(11)17)26-10-13(24)9-22-20-23-16-5-2-12(21)7-18(16)28-20/h2-8,13,24H,9-10H2,1H3,(H,22,23)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.79	n/a	n/a	n/a	n/a	9.0	25
Nirma University					Assay Description It is determined by kinetic mode of spectro-photometric determination method,which was performed by recording the rate of change in absorbance at 234...				Bioorg Chem 67: 130-8 (2016) Article DOI: 10.1016/j.bioorg.2016.06.004 BindingDB Entry DOI: 10.7270/Q2M907GG
					More data for this Ligand-Target Pair
Lipoxygenase (Glycine max (Soybean))	BDBM192701 (7-(2-hydroxy-3-(6-nitrobenzo[d]thiazol-2-ylamino)p...) Show SMILES Cc1cc(=O)oc2cc(OCC(O)CNc3nc4ccc(cc4s3)[N+]([O-])=O)ccc12 Show InChI InChI=1S/C20H17N3O6S/c1-11-6-19(25)29-17-8-14(3-4-15(11)17)28-10-13(24)9-21-20-22-16-5-2-12(23(26)27)7-18(16)30-20/h2-8,13,24H,9-10H2,1H3,(H,21,22)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.24	n/a	n/a	n/a	n/a	9.0	25
Nirma University					Assay Description It is determined by kinetic mode of spectro-photometric determination method,which was performed by recording the rate of change in absorbance at 234...				Bioorg Chem 67: 130-8 (2016) Article DOI: 10.1016/j.bioorg.2016.06.004 BindingDB Entry DOI: 10.7270/Q2M907GG
					More data for this Ligand-Target Pair
Lipoxygenase (Glycine max (Soybean))	BDBM192702 (7-(3-(5-chloro-6-fluorobenzo[d]thiazol-2-ylamino)-...) Show SMILES Cc1cc(=O)oc2cc(OCC(O)CNc3nc4cc(Cl)c(F)cc4s3)ccc12 Show InChI InChI=1S/C20H16ClFN2O4S/c1-10-4-19(26)28-17-5-12(2-3-13(10)17)27-9-11(25)8-23-20-24-16-6-14(21)15(22)7-18(16)29-20/h2-7,11,25H,8-9H2,1H3,(H,23,24)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.16	n/a	n/a	n/a	n/a	9.0	25
Nirma University					Assay Description It is determined by kinetic mode of spectro-photometric determination method,which was performed by recording the rate of change in absorbance at 234...				Bioorg Chem 67: 130-8 (2016) Article DOI: 10.1016/j.bioorg.2016.06.004 BindingDB Entry DOI: 10.7270/Q2M907GG
					More data for this Ligand-Target Pair
Lipoxygenase (Glycine max (Soybean))	BDBM192704 (7-(3-(5,6-dichlorobenzo[d]thiazol-2-ylamino)-2-hyd...) Show SMILES Cc1cc(=O)oc2cc(OCC(O)CNc3nc4cc(Cl)c(Cl)cc4s3)ccc12 Show InChI InChI=1S/C20H16Cl2N2O4S/c1-10-4-19(26)28-17-5-12(2-3-13(10)17)27-9-11(25)8-23-20-24-16-6-14(21)15(22)7-18(16)29-20/h2-7,11,25H,8-9H2,1H3,(H,23,24)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.5	n/a	n/a	n/a	n/a	9.0	25
Nirma University					Assay Description It is determined by kinetic mode of spectro-photometric determination method,which was performed by recording the rate of change in absorbance at 234...				Bioorg Chem 67: 130-8 (2016) Article DOI: 10.1016/j.bioorg.2016.06.004 BindingDB Entry DOI: 10.7270/Q2M907GG
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50069959 (Brequinar sodium | CHEMBL300058 | Sodium; 6-fluoro...) Show SMILES Cc1c(nc2ccc(F)cc2c1C([O-])=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DHODH (31 to 395 residues) expressed in Escherichia coli using DHO as substrate measured after ...				Bioorg Med Chem Lett 29: 917-922 (2019) Article DOI: 10.1016/j.bmcl.2019.01.038 BindingDB Entry DOI: 10.7270/Q29Z98CQ
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50532171 (CHEMBL4543612) Show SMILES Clc1ccc(cc1)-c1cc(COCc2ccccc2)c2cc(Cl)c(Cl)cc2n1 Show InChI InChI=1S/C23H16Cl3NO/c24-18-8-6-16(7-9-18)22-10-17(14-28-13-15-4-2-1-3-5-15)19-11-20(25)21(26)12-23(19)27-22/h1-12H,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DHODH (31 to 395 residues) expressed in Escherichia coli using DHO as substrate measured after ...				Bioorg Med Chem Lett 29: 917-922 (2019) Article DOI: 10.1016/j.bmcl.2019.01.038 BindingDB Entry DOI: 10.7270/Q29Z98CQ
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50532167 (CHEMBL4460961) Show SMILES Cc1ccc2nc(cc(C(=O)OCc3ccccc3)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H18FNO2/c1-16-7-12-22-20(13-16)21(24(27)28-15-17-5-3-2-4-6-17)14-23(26-22)18-8-10-19(25)11-9-18/h2-14H,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DHODH (31 to 395 residues) expressed in Escherichia coli using DHO as substrate measured after ...				Bioorg Med Chem Lett 29: 917-922 (2019) Article DOI: 10.1016/j.bmcl.2019.01.038 BindingDB Entry DOI: 10.7270/Q29Z98CQ
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50532170 (CHEMBL4464999) Show SMILES COc1ccc(cc1)-c1cc(C(=O)OCc2ccccc2)c2cc(C)ccc2n1 Show InChI InChI=1S/C25H21NO3/c1-17-8-13-23-21(14-17)22(25(27)29-16-18-6-4-3-5-7-18)15-24(26-23)19-9-11-20(28-2)12-10-19/h3-15H,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DHODH (31 to 395 residues) expressed in Escherichia coli using DHO as substrate measured after ...				Bioorg Med Chem Lett 29: 917-922 (2019) Article DOI: 10.1016/j.bmcl.2019.01.038 BindingDB Entry DOI: 10.7270/Q29Z98CQ
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50532165 (CHEMBL4579382) Show SMILES COc1ccc(cc1)-c1cc(C(=O)OCc2ccccc2)c2cc(Cl)c(Cl)cc2n1 Show InChI InChI=1S/C24H17Cl2NO3/c1-29-17-9-7-16(8-10-17)22-12-19(18-11-20(25)21(26)13-23(18)27-22)24(28)30-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DHODH (31 to 395 residues) expressed in Escherichia coli using DHO as substrate measured after ...				Bioorg Med Chem Lett 29: 917-922 (2019) Article DOI: 10.1016/j.bmcl.2019.01.038 BindingDB Entry DOI: 10.7270/Q29Z98CQ
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50532166 (CHEMBL4586996) Show SMILES Cc1ccc2nc(cc(C(=O)OCc3ccccc3)c2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H18ClNO2/c1-16-7-12-22-20(13-16)21(24(27)28-15-17-5-3-2-4-6-17)14-23(26-22)18-8-10-19(25)11-9-18/h2-14H,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DHODH (31 to 395 residues) expressed in Escherichia coli using DHO as substrate measured after ...				Bioorg Med Chem Lett 29: 917-922 (2019) Article DOI: 10.1016/j.bmcl.2019.01.038 BindingDB Entry DOI: 10.7270/Q29Z98CQ
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50532168 (CHEMBL4437585) Show SMILES Clc1ccc(cc1)-c1cc(C(=O)OCc2ccccc2)c2cc(Cl)c(Cl)cc2n1 Show InChI InChI=1S/C23H14Cl3NO2/c24-16-8-6-15(7-9-16)21-11-18(17-10-19(25)20(26)12-22(17)27-21)23(28)29-13-14-4-2-1-3-5-14/h1-12H,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DHODH (31 to 395 residues) expressed in Escherichia coli using DHO as substrate measured after ...				Bioorg Med Chem Lett 29: 917-922 (2019) Article DOI: 10.1016/j.bmcl.2019.01.038 BindingDB Entry DOI: 10.7270/Q29Z98CQ
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50532172 (CHEMBL4544880) Show SMILES Cc1ccc2nc(cc(COCc3ccccc3)c2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H20FNO/c1-17-7-12-23-22(13-17)20(16-27-15-18-5-3-2-4-6-18)14-24(26-23)19-8-10-21(25)11-9-19/h2-14H,15-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DHODH (31 to 395 residues) expressed in Escherichia coli using DHO as substrate measured after ...				Bioorg Med Chem Lett 29: 917-922 (2019) Article DOI: 10.1016/j.bmcl.2019.01.038 BindingDB Entry DOI: 10.7270/Q29Z98CQ
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50532169 (CHEMBL4460949) Show SMILES COc1ccc(cc1)-c1cc(COCc2ccccc2)c2cc(Cl)c(Cl)cc2n1 Show InChI InChI=1S/C24H19Cl2NO2/c1-28-19-9-7-17(8-10-19)23-11-18(15-29-14-16-5-3-2-4-6-16)20-12-21(25)22(26)13-24(20)27-23/h2-13H,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DHODH (31 to 395 residues) expressed in Escherichia coli using DHO as substrate measured after ...				Bioorg Med Chem Lett 29: 917-922 (2019) Article DOI: 10.1016/j.bmcl.2019.01.038 BindingDB Entry DOI: 10.7270/Q29Z98CQ
					More data for this Ligand-Target Pair