Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 13' and Ligand = 'BDBM50503791'   

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))	BDBM50503791 (CHEMBL4570038) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-12-1-5-14(6-2-12)21-10-11(9-16(21)22)17(23)20-13-3-7-15(8-4-13)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA13 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50503791 (CHEMBL4570038) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-12-1-5-14(6-2-12)21-10-11(9-16(21)22)17(23)20-13-3-7-15(8-4-13)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair