Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 5B, mitochondrial' and Ligand = 'BDBM50503786'   

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))	BDBM50503786 (CHEMBL4555622) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20ClN5O6S/c1-11-7-16(18(21)12(2)19(11)33(22,31)32)25-10-14(8-17(25)27)20(28)24-23-9-13-3-5-15(6-4-13)26(29)30/h3-7,9,14H,8,10H2,1-2H3,(H,24,28)(H2,22,31,32)/b23-9+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	18	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))	BDBM50503786 (CHEMBL4555622) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20ClN5O6S/c1-11-7-16(18(21)12(2)19(11)33(22,31)32)25-10-14(8-17(25)27)20(28)24-23-9-13-3-5-15(6-4-13)26(29)30/h3-7,9,14H,8,10H2,1-2H3,(H,24,28)(H2,22,31,32)/b23-9+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0110	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