Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 5B, mitochondrial' and Ligand = 'BDBM50503775'   

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))	BDBM50503775 (CHEMBL4439909) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(O)=O Show InChI InChI=1S/C13H16N2O5S/c1-7-3-10(4-8(2)12(7)21(14,19)20)15-6-9(13(17)18)5-11(15)16/h3-4,9H,5-6H2,1-2H3,(H,17,18)(H2,14,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.270	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))	BDBM50503775 (CHEMBL4439909) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(O)=O Show InChI InChI=1S/C13H16N2O5S/c1-7-3-10(4-8(2)12(7)21(14,19)20)15-6-9(13(17)18)5-11(15)16/h3-4,9H,5-6H2,1-2H3,(H,17,18)(H2,14,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CA5B assessed as intrinsic dissociation constant by thermal shift assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116140 BindingDB Entry DOI: 10.7270/Q2TM7FWZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50503775 (CHEMBL4439909) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(O)=O Show InChI InChI=1S/C13H16N2O5S/c1-7-3-10(4-8(2)12(7)21(14,19)20)15-6-9(13(17)18)5-11(15)16/h3-4,9H,5-6H2,1-2H3,(H,17,18)(H2,14,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.30E+3	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