Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 5B, mitochondrial' and Ligand = 'BDBM50449813'   

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))	BDBM50449813 (CHEMBL4170792) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C17H20ClN3O4S/c18-14-10-15(21-11-12-5-2-1-3-6-12)13(9-16(14)26(19,24)25)17(23)20-7-4-8-22/h1-3,5-6,9-10,21-22H,4,7-8,11H2,(H,20,23)(H2,19,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.69E+3	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 5B (40 to 317 residues) expressed in Escherichia coli Rosetta 2 (DE3)...				Eur J Med Chem 156: 61-78 (2018) Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50449813 (CHEMBL4170792) Show SMILES NS(=O)(=O)c1cc(C(=O)NCCCO)c(NCc2ccccc2)cc1Cl Show InChI InChI=1S/C17H20ClN3O4S/c18-14-10-15(21-11-12-5-2-1-3-6-12)13(9-16(14)26(19,24)25)17(23)20-7-4-8-22/h1-3,5-6,9-10,21-22H,4,7-8,11H2,(H,20,23)(H2,19,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 5B (40 to 317 residues) expressed in Escherichia coli Rosetta 2 (DE3)...				Eur J Med Chem 156: 61-78 (2018) Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559
					More data for this Ligand-Target Pair