Compile Data Set for Download or QSAR

Found 66 hits of ki data for polymerid = 10499   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM50399075 (CHEMBL2179304) Show SMILES Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3588c pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM50399078 (CHEMBL2179307) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc2CSc3cc(Cl)ccc3-c12 Show InChI InChI=1S/C16H12ClN3O2S2/c17-11-1-6-14-15(7-11)23-9-10-8-19-20(16(10)14)12-2-4-13(5-3-12)24(18,21)22/h1-8H,9H2,(H2,18,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3588c pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM11638 (CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...) Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	266	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM50399076 (CHEMBL2179305) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc2CSc3ncccc3-c12 Show InChI InChI=1S/C15H12N4O2S2/c16-23(20,21)12-5-3-11(4-6-12)19-14-10(8-18-19)9-22-15-13(14)2-1-7-17-15/h1-8H,9H2,(H2,16,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	273	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3588c pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM50399077 (CHEMBL2179306) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc2CSc3cc(ccc3-c12)C(F)(F)F Show InChI InChI=1S/C17H12F3N3O2S2/c18-17(19,20)11-1-6-14-15(7-11)26-9-10-8-22-23(16(10)14)12-2-4-13(5-3-12)27(21,24)25/h1-8H,9H2,(H2,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	357	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3588c pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM11627 (β-CA inhibitor, 3 | 2-N-(4-amino-3-fluoro-5-i...) Show SMILES Nc1c(F)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H7FIN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	410	-8.71	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM11626 (β-CA inhibitor, 2 | 2-N-(4-amino-3-bromo-5-fl...) Show SMILES Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H7BrFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	430	-8.68	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM11622 (β-CA inhibitor, 1 | 2-N-(4-amino-3-chlorobenz...) Show SMILES Nc1ccc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H8ClN5O4S3/c9-5-3-4(1-2-6(5)10)21(17,18)14-7-12-13-8(19-7)20(11,15)16/h1-3H,10H2,(H,12,14)(H2,11,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	450	-8.65	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10886 (2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	460	-8.64	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10886 (2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	467	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	474	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM4375 ((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...) Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	590	-8.49	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM50399079 (CHEMBL2179308) Show SMILES COc1ccc2-c3c(CSc2c1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O3S2/c1-23-13-4-7-15-16(8-13)24-10-11-9-19-20(17(11)15)12-2-5-14(6-3-12)25(18,21)22/h2-9H,10H2,1H3,(H2,18,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3588c pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10881 (CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...) Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2| Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM26999 (4-(1,1-dioxo-1,2-thiazinan-2-yl)benzene-1-sulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O Show InChI InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	664	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM13063 (4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...) Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	682	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3588c pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM13063 (4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...) Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	682	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	713	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	713	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3588c pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10890 (1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	717	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM29278 (CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...) Show SMILES O=C1NS(=O)(=O)c2ccccc12 Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	792	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	876	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	978	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM4374 ((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...) Show SMILES OC(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.56E+3	-7.92	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10883 (4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...) Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM239164 (4-Cyanobenzoic acid (3)) Show SMILES OC(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.12E+3	-7.73	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM50405325 (4-Iodobenzoic acid (2) | CHEMBL101265) Show SMILES OC(=O)c1ccc(I)cc1 Show InChI InChI=1S/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	2.14E+3	-7.73	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10872 (4-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-su...) Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H17N3O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10,15H2,(H2,16,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10869 (5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...) Show SMILES Cn1nc(sc1=N)S(N)(=O)=O Show InChI InChI=1S/C3H6N4O2S2/c1-7-2(4)10-3(6-7)11(5,8)9/h4H,1H3,(H2,5,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10873 (4-[(2-aminopyrimidin-4-yl)amino]benzene-1-sulfonam...) Show SMILES Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C10H11N5O2S/c11-10-13-6-5-9(15-10)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM239163 (4-Bromobenzoic acid (1)) Show SMILES OC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	2.66E+3	-7.60	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10871 (4-amino-N-[(4-sulfamoylphenyl)methyl]benzene-1-sul...) Show SMILES Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H15N3O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM50214744 ((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...) Show SMILES COc1cc(\C=C\C(O)=O)ccc1O Show InChI InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.50E+3	-7.44	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM239165 (4-Acetamidobenzoic acid (4)) Show SMILES CC(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	3.67E+3	-7.41	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM11608 (β-CA inhibitor, 7 | 4-Amino-3,5-dichlorobenze...) Show SMILES Nc1c(Cl)cc(cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C6H6Cl2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.14E+3	-7.34	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM50146462 ((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...) Show SMILES OC(=O)\C=C\c1ccccc1O Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.17E+3	-7.33	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM11606 (β-CA inhibitor, 5 | 4-Amino-5-bromo-3-fluorob...) Show SMILES Nc1c(F)cc(cc1Br)S(N)(=O)=O Show InChI InChI=1S/C6H6BrFN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.31E+3	-7.31	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM11607 (β-CA inhibitor, 6 | 4-Amino-3-fluoro-5-iodobe...) Show SMILES Nc1c(F)cc(cc1I)S(N)(=O)=O Show InChI InChI=1S/C6H6FIN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.49E+3	-7.29	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM11611 (β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...) Show SMILES Nc1c(Br)cc(cc1Br)S(N)(=O)=O Show InChI InChI=1S/C6H6Br2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.52E+3	-7.29	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM11605 (β-CA inhibitor, 4 | 4-Amino-5-chloro-3-fluoro...) Show SMILES Nc1c(F)cc(cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C6H6ClFN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.56E+3	-7.28	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM11609 (β-CA inhibitor, 8 | 4-Amino-5-bromo-3-chlorob...) Show SMILES Nc1c(Cl)cc(cc1Br)S(N)(=O)=O Show InChI InChI=1S/C6H6BrClN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.62E+3	-7.27	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM11610 (β-CA inhibitor, 9 | 4-Amino-3-chloro-5-iodobe...) Show SMILES Nc1c(Cl)cc(cc1I)S(N)(=O)=O Show InChI InChI=1S/C6H6ClIN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.74E+3	-7.26	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM50003624 ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) Show SMILES OC(=O)C1CCCNC1 Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.27E+3	-7.20	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM50405310 (4-Nitrobenzoic acid (5) | CHEMBL101263) Show SMILES OC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	8.10E+3	-6.94	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10863 (4-Amino-3-chlorobenzenesulfonamide | 4-amino-3-chl...) Show SMILES Nc1ccc(cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C6H7ClN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair

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