Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 5B, mitochondrial' and Ligand = 'BDBM50503800'   

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))	BDBM50503800 (CHEMBL4558235) Show SMILES COc1ccc(\C=N\NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C21H24N4O5S/c1-13-8-17(9-14(2)20(13)31(22,28)29)25-12-16(10-19(25)26)21(27)24-23-11-15-4-6-18(30-3)7-5-15/h4-9,11,16H,10,12H2,1-3H3,(H,24,27)(H2,22,28,29)/b23-11+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	670	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
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50503800 (CHEMBL4558235) Show SMILES COc1ccc(\C=N\NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C21H24N4O5S/c1-13-8-17(9-14(2)20(13)31(22,28)29)25-12-16(10-19(25)26)21(27)24-23-11-15-4-6-18(30-3)7-5-15/h4-9,11,16H,10,12H2,1-3H3,(H,24,27)(H2,22,28,29)/b23-11+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0550	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