Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 5B, mitochondrial' and Ligand = 'BDBM50504926'   

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 5B, mitochondrial (Homo sapiens (Human))	BDBM50504926 (CHEMBL4441818) Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 5b 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
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50504926 (CHEMBL4441818) Show SMILES NC(=O)c1cc(c(Cl)cc1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C15H15ClN2O5S2/c16-12-9-13(11(15(17)19)8-14(12)25(18,22)23)24(20,21)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,22,23)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 5b 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