Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'saleem' 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
Carbonic anhydrase 2 (Bos taurus)	BDBM222435 (N'',N'''-Bis[(E)-(2,6-dichlorophenyl)methylide...) Show SMILES Clc1cccc(Cl)c1\C=N\NC(=O)N\N=C\c1c(Cl)cccc1Cl Show InChI InChI=1S/C15H10Cl4N4O/c16-11-3-1-4-12(17)9(11)7-20-22-15(24)23-21-8-10-13(18)5-2-6-14(10)19/h1-8H,(H2,22,23,24)/b20-7+,21-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222429 (N'',N'''-Bis[(E)-(2-nitrophenyl)methylidene]ca...) Show SMILES [O-][N+](=O)c1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-5-1-3-7-13(11)20(23)24)19-17-10-12-6-2-4-8-14(12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222428 (N'',N'''-Bis[(E)-(4-nitrophenyl)methylidene]ca...) Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-1-5-13(6-2-11)20(23)24)19-17-10-12-3-7-14(8-4-12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222431 (N'',N'''-Bis[(E)-(4-bromophenyl)methylidene]ca...) Show SMILES Brc1ccc(\C=N\NC(=O)N\N=C\c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C15H12Br2N4O/c16-13-5-1-11(2-6-13)9-18-20-15(22)21-19-10-12-3-7-14(17)8-4-12/h1-10H,(H2,20,21,22)/b18-9+,19-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222430 (N'',N'''-Bis[(E)-(2-chloro-5-nitrophenyl)methy...) Show SMILES [O-][N+](=O)c1ccc(Cl)c(\C=N\NC(=O)N\N=C\c2cc(ccc2Cl)[N+]([O-])=O)c1 Show InChI InChI=1S/C15H10Cl2N6O5/c16-13-3-1-11(22(25)26)5-9(13)7-18-20-15(24)21-19-8-10-6-12(23(27)28)2-4-14(10)17/h1-8H,(H2,20,21,24)/b18-7+,19-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222433 (N'',N'''-Bis[(E)-(2-chlorophenyl)methylidene]c...) Show SMILES Clc1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1Cl Show InChI InChI=1S/C15H12Cl2N4O/c16-13-7-3-1-5-11(13)9-18-20-15(22)21-19-10-12-6-2-4-8-14(12)17/h1-10H,(H2,20,21,22)/b18-9+,19-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
University of Karachi; Government College University Faisalabad					Assay Description Kinetic studies were performed by using different concentration of inhibitors over different concentrations of substrate (4-NPA) such as 0.175, 0.35,...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222428 (N'',N'''-Bis[(E)-(4-nitrophenyl)methylidene]ca...) Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-1-5-13(6-2-11)20(23)24)19-17-10-12-3-7-14(8-4-12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222430 (N'',N'''-Bis[(E)-(2-chloro-5-nitrophenyl)methy...) Show SMILES [O-][N+](=O)c1ccc(Cl)c(\C=N\NC(=O)N\N=C\c2cc(ccc2Cl)[N+]([O-])=O)c1 Show InChI InChI=1S/C15H10Cl2N6O5/c16-13-3-1-11(22(25)26)5-9(13)7-18-20-15(24)21-19-8-10-6-12(23(27)28)2-4-14(10)17/h1-8H,(H2,20,21,24)/b18-7+,19-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222435 (N'',N'''-Bis[(E)-(2,6-dichlorophenyl)methylide...) Show SMILES Clc1cccc(Cl)c1\C=N\NC(=O)N\N=C\c1c(Cl)cccc1Cl Show InChI InChI=1S/C15H10Cl4N4O/c16-11-3-1-4-12(17)9(11)7-20-22-15(24)23-21-8-10-13(18)5-2-6-14(10)19/h1-8H,(H2,22,23,24)/b20-7+,21-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222429 (N'',N'''-Bis[(E)-(2-nitrophenyl)methylidene]ca...) Show SMILES [O-][N+](=O)c1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-5-1-3-7-13(11)20(23)24)19-17-10-12-6-2-4-8-14(12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM10888 (1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...) Show SMILES NS(=O)(=O)Cc1noc2ccccc12 Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)	PDB MMDB 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	1.86E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222431 (N'',N'''-Bis[(E)-(4-bromophenyl)methylidene]ca...) Show SMILES Brc1ccc(\C=N\NC(=O)N\N=C\c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C15H12Br2N4O/c16-13-5-1-11(2-6-13)9-18-20-15(22)21-19-10-12-3-7-14(17)8-4-12/h1-10H,(H2,20,21,22)/b18-9+,19-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222433 (N'',N'''-Bis[(E)-(2-chlorophenyl)methylidene]c...) Show SMILES Clc1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1Cl Show InChI InChI=1S/C15H12Cl2N4O/c16-13-7-3-1-5-11(13)9-18-20-15(22)21-19-10-12-6-2-4-8-14(12)17/h1-10H,(H2,20,21,22)/b18-9+,19-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.33E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222434 (N'',N'''-Bis[(E)-(2,4-dichlorophenyl)methylide...) Show SMILES Clc1ccc(\C=N\NC(=O)N\N=C\c2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C15H10Cl4N4O/c16-11-3-1-9(13(18)5-11)7-20-22-15(24)23-21-8-10-2-4-12(17)6-14(10)19/h1-8H,(H2,22,23,24)/b20-7+,21-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.67E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM222432 (N'',N'''-Bis[(E)-(2-bromophenyl)methylidene]ca...) Show SMILES Brc1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1Br Show InChI InChI=1S/C15H12Br2N4O/c16-13-7-3-1-5-11(13)9-18-20-15(22)21-19-10-12-6-2-4-8-14(12)17/h1-10H,(H2,20,21,22)/b18-9+,19-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.96E+3	n/a	n/a	n/a	n/a	7.4	25
University of Karachi; Government College University Faisalabad					Assay Description In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...				Bioorg Chem 72: 89-101 (2017) Article DOI: 10.1016/j.bioorg.2017.03.014 BindingDB Entry DOI: 10.7270/Q2125RHB
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50009001 (5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	8.0	25
University of Karachi					Assay Description A mixture of test compound (10 μL; 1 mM) in MeOH, type-1B lipoxygenase (EC 1.13.11.12; from soyabean) (20 μL; 70 units) in 0.1 M aqueous ph...				J Enzyme Inhib Med Chem 25: 440-4 (2010) Article DOI: 10.1080/14756360903179484 BindingDB Entry DOI: 10.7270/Q2V986X3
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM233017 (Conferin (1)) Show SMILES COc1cc(ccc1O)-c1coc2cc(O)c(O)cc2c1=O Show InChI InChI=1S/C16H12O6/c1-21-15-4-8(2-3-11(15)17)10-7-22-14-6-13(19)12(18)5-9(14)16(10)20/h2-7,17-19H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.52E+4	n/a	n/a	n/a	n/a	8.0	25
University of Karachi					Assay Description A mixture of test compound (10 μL; 1 mM) in MeOH, type-1B lipoxygenase (EC 1.13.11.12; from soyabean) (20 μL; 70 units) in 0.1 M aqueous ph...				J Enzyme Inhib Med Chem 25: 440-4 (2010) Article DOI: 10.1080/14756360903179484 BindingDB Entry DOI: 10.7270/Q2V986X3
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM9461 (5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...) Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL 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	8.0	25
University of Karachi					Assay Description A mixture of test compound (10 μL; 1 mM) in MeOH, type-1B lipoxygenase (EC 1.13.11.12; from soyabean) (20 μL; 70 units) in 0.1 M aqueous ph...				J Enzyme Inhib Med Chem 25: 440-4 (2010) Article DOI: 10.1080/14756360903179484 BindingDB Entry DOI: 10.7270/Q2V986X3
					More data for this Ligand-Target Pair