Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 8435   

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 5B, mitochondrial (Homo sapiens (Human))	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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	21	-43.8	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	23	-43.6	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	26	-43.3	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	DrugBank MMDB PDB Article PubMed	38	-42.4	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	79	-40.5	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	340	-36.9	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM248142 (Grayanotoxin III (GTX3)) Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O |r,TLB:25:24:20.22.21:3.1| Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	510	-35.9	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	630	-35.4	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM248142 (Grayanotoxin III (GTX3)) Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O |r,TLB:25:24:20.22.21:3.1| Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	690	-35.2	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM248142 (Grayanotoxin III (GTX3)) Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O |r,TLB:25:24:20.22.21:3.1| Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	740	-35.0	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Homo sapiens (Human))	BDBM248142 (Grayanotoxin III (GTX3)) Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O |r,TLB:25:24:20.22.21:3.1| Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	760	-34.9	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM248142 (Grayanotoxin III (GTX3)) Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O |r,TLB:25:24:20.22.21:3.1| Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	860	-34.6	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM248142 (Grayanotoxin III (GTX3)) Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O |r,TLB:25:24:20.22.21:3.1| Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	980	-34.3	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM248142 (Grayanotoxin III (GTX3)) Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O |r,TLB:25:24:20.22.21:3.1| Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.14E+3	-33.9	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	1.20E+3	-33.8	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM248142 (Grayanotoxin III (GTX3)) Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O |r,TLB:25:24:20.22.21:3.1| Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.26E+3	-33.7	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM248142 (Grayanotoxin III (GTX3)) Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O |r,TLB:25:24:20.22.21:3.1| Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.47E+3	-33.3	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM248142 (Grayanotoxin III (GTX3)) Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O |r,TLB:25:24:20.22.21:3.1| Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.15E+3	-32.3	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM248142 (Grayanotoxin III (GTX3)) Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O |r,TLB:25:24:20.22.21:3.1| Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.13E+3	-29.8	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM248142 (Grayanotoxin III (GTX3)) Show SMILES C[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O |r,TLB:25:24:20.22.21:3.1| Show InChI InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.01E+3	-29.1	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	1.50E+4	-27.5	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	6.80E+5	-18.1	n/a	n/a	n/a	n/a	n/a	7.5	25
University of Calgary					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 29: 469-75 (2014) Article DOI: 10.3109/14756366.2013.804072 BindingDB Entry DOI: 10.7270/Q24X56QZ
					More data for this Ligand-Target Pair