Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50034682   

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 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human wild type carbonic anhydrase 2 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2208-13 (2012) Article DOI: 10.1016/j.bmc.2012.02.029 BindingDB Entry DOI: 10.7270/Q21C1XC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10862 (4-Amino-3-fluorobenzenesulfonamide | 4-amino-3-flu...) Show SMILES Nc1ccc(cc1F)S(N)(=O)=O Show InChI InChI=1S/C6H7FN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human wild type carbonic anhydrase 2 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2208-13 (2012) Article DOI: 10.1016/j.bmc.2012.02.029 BindingDB Entry DOI: 10.7270/Q21C1XC6
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10867 (4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...) Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human wild type carbonic anhydrase 2 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2208-13 (2012) Article DOI: 10.1016/j.bmc.2012.02.029 BindingDB Entry DOI: 10.7270/Q21C1XC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10877 (4-(2-hydroxyethyl)benzene-1-sulfonamide | CHEMBL67...) Show SMILES NS(=O)(=O)c1ccc(CCO)cc1 Show InChI InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human wild type carbonic anhydrase 2 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2208-13 (2012) Article DOI: 10.1016/j.bmc.2012.02.029 BindingDB Entry DOI: 10.7270/Q21C1XC6
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10861 (4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...) Show SMILES NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human wild type carbonic anhydrase 2 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2208-13 (2012) Article DOI: 10.1016/j.bmc.2012.02.029 BindingDB Entry DOI: 10.7270/Q21C1XC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10857 (4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...) Show SMILES Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)	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 Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human wild type carbonic anhydrase 2 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2208-13 (2012) Article DOI: 10.1016/j.bmc.2012.02.029 BindingDB Entry DOI: 10.7270/Q21C1XC6
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	5.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human wild type carbonic anhydrase 2 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2208-13 (2012) Article DOI: 10.1016/j.bmc.2012.02.029 BindingDB Entry DOI: 10.7270/Q21C1XC6
					More data for this Ligand-Target Pair				3D Structure (crystal)