Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 13' and Ligand = 'BDBM50503785'   

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))	BDBM50503785 (CHEMBL4448119) Show SMILES Cc1cc(NC(=O)C2CN(C(=O)C2)c2ccccc2)cc(C)c1S(N)(=O)=O Show InChI InChI=1S/C19H21N3O4S/c1-12-8-15(9-13(2)18(12)27(20,25)26)21-19(24)14-10-17(23)22(11-14)16-6-4-3-5-7-16/h3-9,14H,10-11H2,1-2H3,(H,21,24)(H2,20,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.560	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
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50503785 (CHEMBL4448119) Show SMILES Cc1cc(NC(=O)C2CN(C(=O)C2)c2ccccc2)cc(C)c1S(N)(=O)=O Show InChI InChI=1S/C19H21N3O4S/c1-12-8-15(9-13(2)18(12)27(20,25)26)21-19(24)14-10-17(23)22(11-14)16-6-4-3-5-7-16/h3-9,14H,10-11H2,1-2H3,(H,21,24)(H2,20,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.90E+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