Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50042719   

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))	BDBM50406452 (CHEMBL106848) Show SMILES NS(=O)(=O)c1ccc(SCCO)cc1 Show InChI InChI=1S/C8H11NO3S2/c9-14(11,12)8-3-1-7(2-4-8)13-6-5-10/h1-4,10H,5-6H2,(H2,9,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by isothermal titration calorimetry				Bioorg Med Chem 21: 2093-106 (2013) Article DOI: 10.1016/j.bmc.2013.01.008 BindingDB Entry DOI: 10.7270/Q2PV6MQK
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50429901 (2,3,5,6-Tetrafluorobenzenesulfonamide | CHEMBL2333...) Show SMILES NS(=O)(=O)c1c(F)c(F)cc(F)c1F Show InChI InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	66	n/a	n/a	n/a	7.0	n/a
Vilnius University Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by isothermal titration calorimetry				Bioorg Med Chem 21: 2093-106 (2013) Article DOI: 10.1016/j.bmc.2013.01.008 BindingDB Entry DOI: 10.7270/Q2PV6MQK
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50429899 (CHEMBL2333416) Show SMILES NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1F Show InChI InChI=1S/C8H7F4NO3S2/c9-3-5(11)8(18(13,15)16)6(12)4(10)7(3)17-2-1-14/h14H,1-2H2,(H2,13,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	7.0	n/a
Vilnius University Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by isothermal titration calorimetry				Bioorg Med Chem 21: 2093-106 (2013) Article DOI: 10.1016/j.bmc.2013.01.008 BindingDB Entry DOI: 10.7270/Q2PV6MQK
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50429900 (CHEMBL2333417) Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)S(=O)(=O)CCO Show InChI InChI=1S/C8H7F4NO5S2/c9-3-5(11)8(20(13,17)18)6(12)4(10)7(3)19(15,16)2-1-14/h14H,1-2H2,(H2,13,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	74	n/a	n/a	n/a	7.0	n/a
Vilnius University Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by isothermal titration calorimetry				Bioorg Med Chem 21: 2093-106 (2013) Article DOI: 10.1016/j.bmc.2013.01.008 BindingDB Entry DOI: 10.7270/Q2PV6MQK
					More data for this Ligand-Target Pair				3D Structure (crystal)