Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 13' and Ligand = 'BDBM50504919'   

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))	BDBM50504919 (CHEMBL4445515) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCC(O)=O)c(SCc2ccccc2)cc1Cl Show InChI InChI=1S/C18H19ClN2O5S2/c19-14-10-15(27-11-12-5-2-1-3-6-12)13(9-16(14)28(20,25)26)18(24)21-8-4-7-17(22)23/h1-3,5-6,9-10H,4,7-8,11H2,(H,21,24)(H,22,23)(H2,20,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825 BindingDB Entry DOI: 10.7270/Q2VX0KS1
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50504919 (CHEMBL4445515) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCC(O)=O)c(SCc2ccccc2)cc1Cl Show InChI InChI=1S/C18H19ClN2O5S2/c19-14-10-15(27-11-12-5-2-1-3-6-12)13(9-16(14)28(20,25)26)18(24)21-8-4-7-17(22)23/h1-3,5-6,9-10H,4,7-8,11H2,(H,21,24)(H,22,23)(H2,20,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 13 expressed in Escherichia coli expression system assessed as observed dissociation constan...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825 BindingDB Entry DOI: 10.7270/Q2VX0KS1
					More data for this Ligand-Target Pair