Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 5B, mitochondrial' and Ligand = 'BDBM50503808'   

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))	BDBM50503808 (CHEMBL4441730) Show SMILES COc1ccc(\C=N\NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)cc1 Show InChI InChI=1S/C21H23ClN4O5S/c1-12-8-17(19(22)13(2)20(12)32(23,29)30)26-11-15(9-18(26)27)21(28)25-24-10-14-4-6-16(31-3)7-5-14/h4-8,10,15H,9,11H2,1-3H3,(H,25,28)(H2,23,29,30)/b24-10+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic di...				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 5B, mitochondrial (Homo sapiens (Human))	BDBM50503808 (CHEMBL4441730) Show SMILES COc1ccc(\C=N\NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)cc1 Show InChI InChI=1S/C21H23ClN4O5S/c1-12-8-17(19(22)13(2)20(12)32(23,29)30)26-11-15(9-18(26)27)21(28)25-24-10-14-4-6-16(31-3)7-5-14/h4-8,10,15H,9,11H2,1-3H3,(H,25,28)(H2,23,29,30)/b24-10+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) by DSF-based fluorescenc...				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