Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50005852   

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 13 (Homo sapiens (Human))	BDBM50349858 (CHEMBL78755) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	11	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 human CA13 preincubated for 15 mins by stopped-flow CO2 hydration method				Bioorg Med Chem 22: 334-40 (2014) Article DOI: 10.1016/j.bmc.2013.11.016 BindingDB Entry DOI: 10.7270/Q2K64N27
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	17	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 human CA13 preincubated for 15 mins by stopped-flow CO2 hydration method				Bioorg Med Chem 22: 334-40 (2014) Article DOI: 10.1016/j.bmc.2013.11.016 BindingDB Entry DOI: 10.7270/Q2K64N27
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 13 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	35	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 human CA13 preincubated for 15 mins by stopped-flow CO2 hydration method				Bioorg Med Chem 22: 334-40 (2014) Article DOI: 10.1016/j.bmc.2013.11.016 BindingDB Entry DOI: 10.7270/Q2K64N27
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50030557 (CHEMBL3099282) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(nc1)S(N)(=O)=O Show InChI InChI=1S/C13H14N4O5S2/c1-9-2-5-11(6-3-9)24(21,22)17-13(18)16-10-4-7-12(15-8-10)23(14,19)20/h2-8H,1H3,(H2,14,19,20)(H2,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	38	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 human CA13 preincubated for 15 mins by stopped-flow CO2 hydration method				Bioorg Med Chem 22: 334-40 (2014) Article DOI: 10.1016/j.bmc.2013.11.016 BindingDB Entry DOI: 10.7270/Q2K64N27
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50494958 (CHEMBL3099281) Show SMILES Nc1ccc(nc1)S(N)(=O)=O Show InChI InChI=1S/C5H7N3O2S/c6-4-1-2-5(8-3-4)11(7,9)10/h1-3H,6H2,(H2,7,9,10)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	155	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 human CA13 preincubated for 15 mins by stopped-flow CO2 hydration method				Bioorg Med Chem 22: 334-40 (2014) Article DOI: 10.1016/j.bmc.2013.11.016 BindingDB Entry DOI: 10.7270/Q2K64N27
					More data for this Ligand-Target Pair