Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'fayyaz' and Initial = 's'   

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)	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	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	180	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193814 (N-(4-(bis(5-chloro-1H-indol-3-yl)methyl)phenyl)-2-...) Show SMILES Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12)[N+]([O-])=O Show InChI InChI=1S/C30H22Cl2N4O4S/c1-17-2-9-22(36(37)38)14-29(17)41(39,40)35-21-7-3-18(4-8-21)30(25-15-33-27-10-5-19(31)12-23(25)27)26-16-34-28-11-6-20(32)13-24(26)28/h2-16,30,33-35H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193812 (N-(4-(bis(5-chloro-1H-indol-3-yl)methyl)phenyl)-2,...) Show SMILES [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C29H19Cl2N5O6S/c30-17-3-8-25-21(11-17)23(14-32-25)29(24-15-33-26-9-4-18(31)12-22(24)26)16-1-5-19(6-2-16)34-43(41,42)28-10-7-20(35(37)38)13-27(28)36(39)40/h1-15,29,32-34H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193811 (N-(4-(bis(5-chloro-1H-indol-3-yl)methyl)phenyl)-2,...) Show SMILES Clc1ccc2[nH]cc(C(c3c[nH]c4ccc(Cl)cc34)c3ccc(NS(=O)(=O)c4cc(Cl)c(Cl)cc4Cl)cc3)c2c1 Show InChI InChI=1S/C29H18Cl5N3O2S/c30-16-3-7-26-19(9-16)21(13-35-26)29(22-14-36-27-8-4-17(31)10-20(22)27)15-1-5-18(6-2-15)37-40(38,39)28-12-24(33)23(32)11-25(28)34/h1-14,29,35-37H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193801 (N-(4-(bis(5-bromo-1H-indol-3-yl)methyl)phenyl)-3,5...) Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12 Show InChI InChI=1S/C29H19Br2Cl2N3O3S/c30-16-3-7-25-20(9-16)22(13-34-25)28(23-14-35-26-8-4-17(31)10-21(23)26)15-1-5-19(6-2-15)36-40(38,39)27-12-18(32)11-24(33)29(27)37/h1-14,28,34-37H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193816 (N-(4-(bis(5-chloro-1H-indol-3-yl)methyl)phenyl)-3,...) Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C29H19Cl4N3O3S/c30-16-3-7-25-20(9-16)22(13-34-25)28(23-14-35-26-8-4-17(31)10-21(23)26)15-1-5-19(6-2-15)36-40(38,39)27-12-18(32)11-24(33)29(27)37/h1-14,28,34-37H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193797 (N-(4-(bis(5-bromo-1H-indol-3-yl)methyl)phenyl)-2,4...) Show SMILES [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12 Show InChI InChI=1S/C29H19Br2N5O6S/c30-17-3-8-25-21(11-17)23(14-32-25)29(24-15-33-26-9-4-18(31)12-22(24)26)16-1-5-19(6-2-16)34-43(41,42)28-10-7-20(35(37)38)13-27(28)36(39)40/h1-15,29,32-34H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.89E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM152666 Show SMILES Brc1cccc(NC(=S)Nc2ccc(cc2)C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c1 Show InChI InChI=1S/C30H21Br3N4S/c31-18-2-1-3-22(12-18)37-30(38)36-21-8-4-17(5-9-21)29(25-15-34-27-10-6-19(32)13-23(25)27)26-16-35-28-11-7-20(33)14-24(26)28/h1-16,29,34-35H,(H2,36,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.01E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 62: 83-93 (2015) Article DOI: 10.1016/j.bioorg.2015.08.001 BindingDB Entry DOI: 10.7270/Q2R2103V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM152668 Show SMILES [O-][N+](=O)c1ccc(NC(=S)Nc2ccc(cc2)C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1 Show InChI InChI=1S/C30H21Br2N5O2S/c31-18-3-11-27-23(13-18)25(15-33-27)29(26-16-34-28-12-4-19(32)14-24(26)28)17-1-5-20(6-2-17)35-30(40)36-21-7-9-22(10-8-21)37(38)39/h1-16,29,33-34H,(H2,35,36,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.23E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 62: 83-93 (2015) Article DOI: 10.1016/j.bioorg.2015.08.001 BindingDB Entry DOI: 10.7270/Q2R2103V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM152684 (1-(4-Nitrophenyl)-3-(3-(di(1H-indol-3-yl)methyl)ph...) Show SMILES [O-][N+](=O)c1ccc(NC(=S)Nc2cccc(c2)C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C30H23N5O2S/c36-35(37)22-14-12-20(13-15-22)33-30(38)34-21-7-5-6-19(16-21)29(25-17-31-27-10-3-1-8-23(25)27)26-18-32-28-11-4-2-9-24(26)28/h1-18,29,31-32H,(H2,33,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.29E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 62: 83-93 (2015) Article DOI: 10.1016/j.bioorg.2015.08.001 BindingDB Entry DOI: 10.7270/Q2R2103V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM152669 Show SMILES Clc1ccc(Cl)c(NC(=S)Nc2ccc(cc2)C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c1 Show InChI InChI=1S/C30H20Br2Cl2N4S/c31-17-3-9-26-21(11-17)23(14-35-26)29(24-15-36-27-10-4-18(32)12-22(24)27)16-1-6-20(7-2-16)37-30(39)38-28-13-19(33)5-8-25(28)34/h1-15,29,35-36H,(H2,37,38,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 62: 83-93 (2015) Article DOI: 10.1016/j.bioorg.2015.08.001 BindingDB Entry DOI: 10.7270/Q2R2103V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193779 (N-(4-(di(1H-indol-3-yl)methyl)phenyl)-2-nitrobenze...) Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI InChI=1S/C29H22N4O4S/c34-33(35)27-11-5-6-12-28(27)38(36,37)32-20-15-13-19(14-16-20)29(23-17-30-25-9-3-1-7-21(23)25)24-18-31-26-10-4-2-8-22(24)26/h1-18,29-32H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.59E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM152671 Show SMILES [O-][N+](=O)c1ccc(NC(=S)Nc2ccc(cc2)C(c2c[nH]c3ccc(Cl)cc23)c2c[nH]c3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C30H21Cl2N5O2S/c31-18-3-11-27-23(13-18)25(15-33-27)29(26-16-34-28-12-4-19(32)14-24(26)28)17-1-5-20(6-2-17)35-30(40)36-21-7-9-22(10-8-21)37(38)39/h1-16,29,33-34H,(H2,35,36,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.97E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 62: 83-93 (2015) Article DOI: 10.1016/j.bioorg.2015.08.001 BindingDB Entry DOI: 10.7270/Q2R2103V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193796 (N-(4-(bis(5-bromo-1H-indol-3-yl)methyl)phenyl)-2,4...) Show SMILES Clc1cc(Cl)c(cc1Cl)S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12 Show InChI InChI=1S/C29H18Br2Cl3N3O2S/c30-16-3-7-26-19(9-16)21(13-35-26)29(22-14-36-27-8-4-17(31)10-20(22)27)15-1-5-18(6-2-15)37-40(38,39)28-12-24(33)23(32)11-25(28)34/h1-14,29,35-37H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.03E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM152667 Show SMILES Clc1cccc(NC(=S)Nc2ccc(cc2)C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c1 Show InChI InChI=1S/C30H21Br2ClN4S/c31-18-6-10-27-23(12-18)25(15-34-27)29(26-16-35-28-11-7-19(32)13-24(26)28)17-4-8-21(9-5-17)36-30(38)37-22-3-1-2-20(33)14-22/h1-16,29,34-35H,(H2,36,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.29E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 62: 83-93 (2015) Article DOI: 10.1016/j.bioorg.2015.08.001 BindingDB Entry DOI: 10.7270/Q2R2103V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM152678 (1-(4-(Bis(7-methyl-1H-indol-3-yl)methyl)phenyl)-3-...) Show SMILES Cc1cccc2c(c[nH]c12)C(c1c[nH]c2c(C)cccc12)c1ccc(NC(=S)Nc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C32H27N5O2S/c1-19-5-3-7-25-27(17-33-30(19)25)29(28-18-34-31-20(2)6-4-8-26(28)31)21-9-11-22(12-10-21)35-32(40)36-23-13-15-24(16-14-23)37(38)39/h3-18,29,33-34H,1-2H3,(H2,35,36,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.41E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 62: 83-93 (2015) Article DOI: 10.1016/j.bioorg.2015.08.001 BindingDB Entry DOI: 10.7270/Q2R2103V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193799 (N-(4-(bis(5-bromo-1H-indol-3-yl)methyl)phenyl)-2-m...) Show SMILES Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12)[N+]([O-])=O Show InChI InChI=1S/C30H22Br2N4O4S/c1-17-2-9-22(36(37)38)14-29(17)41(39,40)35-21-7-3-18(4-8-21)30(25-15-33-27-10-5-19(31)12-23(25)27)26-16-34-28-11-6-20(32)13-24(26)28/h2-16,30,33-35H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.43E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193809 (N-(4-(bis(5-chloro-1H-indol-3-yl)methyl)phenyl)-2-...) Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C29H20Cl2N4O4S/c30-18-7-11-25-21(13-18)23(15-32-25)29(24-16-33-26-12-8-19(31)14-22(24)26)17-5-9-20(10-6-17)34-40(38,39)28-4-2-1-3-27(28)35(36)37/h1-16,29,32-34H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.45E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193817 (N-(4-(bis(5-chloro-1H-indol-3-yl)methyl)phenyl)-4-...) Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C29H20Cl3N3O2S/c30-18-3-9-22(10-4-18)38(36,37)35-21-7-1-17(2-8-21)29(25-15-33-27-11-5-19(31)13-23(25)27)26-16-34-28-12-6-20(32)14-24(26)28/h1-16,29,33-35H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.55E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM152663 Show SMILES [O-][N+](=O)c1ccc(NC(=S)Nc2ccc(cc2)C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C30H23N5O2S/c36-35(37)22-15-13-21(14-16-22)34-30(38)33-20-11-9-19(10-12-20)29(25-17-31-27-7-3-1-5-23(25)27)26-18-32-28-8-4-2-6-24(26)28/h1-18,29,31-32H,(H2,33,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.59E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 62: 83-93 (2015) Article DOI: 10.1016/j.bioorg.2015.08.001 BindingDB Entry DOI: 10.7270/Q2R2103V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM152672 Show SMILES Clc1cccc(NC(=S)Nc2ccc(cc2)C(c2c[nH]c3ccc(Cl)cc23)c2c[nH]c3ccc(Cl)cc23)c1 Show InChI InChI=1S/C30H21Cl3N4S/c31-18-2-1-3-22(12-18)37-30(38)36-21-8-4-17(5-9-21)29(25-15-34-27-10-6-19(32)13-23(25)27)26-16-35-28-11-7-20(33)14-24(26)28/h1-16,29,34-35H,(H2,36,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.44E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 62: 83-93 (2015) Article DOI: 10.1016/j.bioorg.2015.08.001 BindingDB Entry DOI: 10.7270/Q2R2103V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193786 (3,5-Dichloro-N-(4-(di(1H-indol-3-yl)methyl)phenyl)...) Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 Show InChI InChI=1S/C29H21Cl2N3O3S/c30-18-13-24(31)29(35)27(14-18)38(36,37)34-19-11-9-17(10-12-19)28(22-15-32-25-7-3-1-5-20(22)25)23-16-33-26-8-4-2-6-21(23)26/h1-16,28,32-35H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.81E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193792 (N-(4-(bis(5-bromo-1H-indol-3-yl)methyl)phenyl)-4-n...) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12 Show InChI InChI=1S/C29H20Br2N4O4S/c30-18-3-11-27-23(13-18)25(15-32-27)29(26-16-33-28-12-4-19(31)14-24(26)28)17-1-5-20(6-2-17)34-40(38,39)22-9-7-21(8-10-22)35(36)37/h1-16,29,32-34H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.39E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193794 (N-(4-(bis(5-bromo-1H-indol-3-yl)methyl)phenyl)-2-n...) Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12 Show InChI InChI=1S/C29H20Br2N4O4S/c30-18-7-11-25-21(13-18)23(15-32-25)29(24-16-33-26-12-8-19(31)14-22(24)26)17-5-9-20(10-6-17)34-40(38,39)28-4-2-1-3-27(28)35(36)37/h1-16,29,32-34H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.52E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM152661 Show SMILES Clc1ccc(Cl)c(NC(=S)Nc2ccc(cc2)C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C30H22Cl2N4S/c31-19-11-14-25(32)28(15-19)36-30(37)35-20-12-9-18(10-13-20)29(23-16-33-26-7-3-1-5-21(23)26)24-17-34-27-8-4-2-6-22(24)27/h1-17,29,33-34H,(H2,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.83E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 62: 83-93 (2015) Article DOI: 10.1016/j.bioorg.2015.08.001 BindingDB Entry DOI: 10.7270/Q2R2103V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193813 (N-(4-(bis(5-chloro-1H-indol-3-yl)methyl)phenyl)-4-...) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C29H19Cl3N4O4S/c30-17-3-9-26-21(11-17)23(14-33-26)29(24-15-34-27-10-4-18(31)12-22(24)27)16-1-5-19(6-2-16)35-41(39,40)20-7-8-25(32)28(13-20)36(37)38/h1-15,29,33-35H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.89E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM152665 Show SMILES CCOC(=O)NC(=S)Nc1ccc(cc1)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12 Show InChI InChI=1S/C27H22Br2N4O2S/c1-2-35-27(34)33-26(36)32-18-7-3-15(4-8-18)25(21-13-30-23-9-5-16(28)11-19(21)23)22-14-31-24-10-6-17(29)12-20(22)24/h3-14,25,30-31H,2H2,1H3,(H2,32,33,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.04E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 62: 83-93 (2015) Article DOI: 10.1016/j.bioorg.2015.08.001 BindingDB Entry DOI: 10.7270/Q2R2103V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193798 (N-(4-(bis(5-bromo-1H-indol-3-yl)methyl)phenyl)-4-c...) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12 Show InChI InChI=1S/C29H19Br2ClN4O4S/c30-17-3-9-26-21(11-17)23(14-33-26)29(24-15-34-27-10-4-18(31)12-22(24)27)16-1-5-19(6-2-16)35-41(39,40)20-7-8-25(32)28(13-20)36(37)38/h1-15,29,33-35H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.31E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193793 (N-(4-(bis(5-bromo-1H-indol-3-yl)methyl)phenyl)naph...) Show SMILES Brc1ccc2[nH]cc(C(c3c[nH]c4ccc(Br)cc34)c3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3)c2c1 Show InChI InChI=1S/C33H23Br2N3O2S/c34-23-8-13-31-27(16-23)29(18-36-31)33(30-19-37-32-14-9-24(35)17-28(30)32)21-5-10-25(11-6-21)38-41(39,40)26-12-7-20-3-1-2-4-22(20)15-26/h1-19,33,36-38H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.04E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM152662 Show SMILES Clc1cccc(NC(=S)Nc2ccc(cc2)C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C30H23ClN4S/c31-20-6-5-7-22(16-20)35-30(36)34-21-14-12-19(13-15-21)29(25-17-32-27-10-3-1-8-23(25)27)26-18-33-28-11-4-2-9-24(26)28/h1-18,29,32-33H,(H2,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 62: 83-93 (2015) Article DOI: 10.1016/j.bioorg.2015.08.001 BindingDB Entry DOI: 10.7270/Q2R2103V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM152660 Show SMILES Brc1cccc(NC(=S)Nc2ccc(cc2)C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C30H23BrN4S/c31-20-6-5-7-22(16-20)35-30(36)34-21-14-12-19(13-15-21)29(25-17-32-27-10-3-1-8-23(25)27)26-18-33-28-11-4-2-9-24(26)28/h1-18,29,32-33H,(H2,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+5	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 62: 83-93 (2015) Article DOI: 10.1016/j.bioorg.2015.08.001 BindingDB Entry DOI: 10.7270/Q2R2103V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM152674 Show SMILES CCOC(=O)NC(=S)Nc1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C27H22Cl2N4O2S/c1-2-35-27(34)33-26(36)32-18-7-3-15(4-8-18)25(21-13-30-23-9-5-16(28)11-19(21)23)22-14-31-24-10-6-17(29)12-20(22)24/h3-14,25,30-31H,2H2,1H3,(H2,32,33,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+5	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 62: 83-93 (2015) Article DOI: 10.1016/j.bioorg.2015.08.001 BindingDB Entry DOI: 10.7270/Q2R2103V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM152673 Show SMILES Clc1ccc(Cl)c(NC(=S)Nc2ccc(cc2)C(c2c[nH]c3ccc(Cl)cc23)c2c[nH]c3ccc(Cl)cc23)c1 Show InChI InChI=1S/C30H20Cl4N4S/c31-17-4-9-26-21(11-17)23(14-35-26)29(24-15-36-27-10-5-18(32)12-22(24)27)16-1-6-20(7-2-16)37-30(39)38-28-13-19(33)3-8-25(28)34/h1-15,29,35-36H,(H2,37,38,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+5	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 62: 83-93 (2015) Article DOI: 10.1016/j.bioorg.2015.08.001 BindingDB Entry DOI: 10.7270/Q2R2103V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bos taurus)	BDBM193810 (N-(4-(bis(5-chloro-1H-indol-3-yl)methyl)phenyl)-5-...) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C30H22Cl3N3O3S/c1-39-28-11-6-20(33)14-29(28)40(37,38)36-21-7-2-17(3-8-21)30(24-15-34-26-9-4-18(31)12-22(24)26)25-16-35-27-10-5-19(32)13-23(25)27/h2-16,30,34-36H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+5	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
					More data for this Ligand-Target Pair