Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 13' and Ligand = 'BDBM50429899'   

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))	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	8.30	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 13 at pH7 and 37 degC by fluorescent thermal shift assay				J Med Chem 57: 9435-46 (2014) Article DOI: 10.1021/jm501003k BindingDB Entry DOI: 10.7270/Q280547S
					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	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 13 at pH7 and 37 degC by isothermal titration calorimetry				J Med Chem 57: 9435-46 (2014) Article DOI: 10.1021/jm501003k BindingDB Entry DOI: 10.7270/Q280547S
					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	<10	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 13 at pH7 and 25 degC by stopped-flow kinetic inhibition assay				J Med Chem 57: 9435-46 (2014) Article DOI: 10.1021/jm501003k BindingDB Entry DOI: 10.7270/Q280547S
					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	0.0500	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic th...				J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 BindingDB Entry DOI: 10.7270/Q23T9KNS
					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	8.30	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 thermal shift assay				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	n/a	n/a	0.000760	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as dissociation...				J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 BindingDB Entry DOI: 10.7270/Q23T9KNS
					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