Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 5B, mitochondrial' and Ligand = 'BDBM50504927'   

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))	BDBM50504927 (CHEMBL4444201) Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H21ClN2O3S2/c1-2-3-9-21-18(22)14-10-17(26(20,23)24)15(19)11-16(14)25-12-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9,12H2,1H3,(H,21,22)(H2,20,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as kinetic dissociation constant...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825 BindingDB Entry DOI: 10.7270/Q2VX0KS1
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50504927 (CHEMBL4444201) Show SMILES CCCCNC(=O)c1cc(c(Cl)cc1SCc1ccccc1)S(N)(=O)=O Show InChI InChI=1S/C18H21ClN2O3S2/c1-2-3-9-21-18(22)14-10-17(26(20,23)24)15(19)11-16(14)25-12-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9,12H2,1H3,(H,21,22)(H2,20,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 5b expressed in Escherichia coli expression system assessed as observed dissociation constan...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825 BindingDB Entry DOI: 10.7270/Q2VX0KS1
					More data for this Ligand-Target Pair