Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 13' and Ligand = 'BDBM50503794'   

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))	BDBM50503794 (CHEMBL4577083) Show SMILES Cc1cc(c(C)cc1N1CC(CC1=O)C(O)=O)S(N)(=O)=O Show InChI InChI=1S/C13H16N2O5S/c1-7-4-11(21(14,19)20)8(2)3-10(7)15-6-9(13(17)18)5-12(15)16/h3-4,9H,5-6H2,1-2H3,(H,17,18)(H2,14,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	670	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))	BDBM50503794 (CHEMBL4577083) Show SMILES Cc1cc(c(C)cc1N1CC(CC1=O)C(O)=O)S(N)(=O)=O Show InChI InChI=1S/C13H16N2O5S/c1-7-4-11(21(14,19)20)8(2)3-10(7)15-6-9(13(17)18)5-12(15)16/h3-4,9H,5-6H2,1-2H3,(H,17,18)(H2,14,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.460	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