Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 5A, mitochondrial' and Ligand = 'BDBM50504909'   

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 5A, mitochondrial (Homo sapiens (Human))	BDBM50504909 (CHEMBL4450456) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1SC1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O4S2/c1-23-8-7-19-16(20)12-9-15(25(18,21)22)13(17)10-14(12)24-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 5a 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 5A, mitochondrial (Homo sapiens (Human))	BDBM50504909 (CHEMBL4450456) Show SMILES COCCNC(=O)c1cc(c(Cl)cc1SC1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C16H23ClN2O4S2/c1-23-8-7-19-16(20)12-9-15(25(18,21)22)13(17)10-14(12)24-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,19,20)(H2,18,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 5a 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