Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 13' and Ligand = 'BDBM50503793'   

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))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	10	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))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0110	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