Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 14' and Ligand = 'BDBM50504918'   

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 14 (Homo sapiens (Human))	BDBM50504918 (CHEMBL4513913) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C16H17BrN2O6S2/c17-13-9-14(26(22,23)10-11-4-2-1-3-5-11)12(16(21)19-6-7-20)8-15(13)27(18,24)25/h1-5,8-9,20H,6-7,10H2,(H,19,21)(H2,18,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 14 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
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50504918 (CHEMBL4513913) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCO)c(cc1Br)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C16H17BrN2O6S2/c17-13-9-14(26(22,23)10-11-4-2-1-3-5-11)12(16(21)19-6-7-20)8-15(13)27(18,24)25/h1-5,8-9,20H,6-7,10H2,(H,19,21)(H2,18,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 14 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