Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 5B, mitochondrial' and Ligand = 'BDBM50449834'   

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))	BDBM50449834 (CHEMBL4173501) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(Cl)cc1Cl Show InChI InChI=1S/C13H16Cl2N2O3S/c14-10-7-11(15)12(21(16,19)20)6-9(10)13(18)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,18)(H2,16,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 5B (40 to 317 residues) expressed in Escherichia coli Rosetta 2 (DE3)...				Eur J Med Chem 156: 61-78 (2018) Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50449834 (CHEMBL4173501) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(Cl)cc1Cl Show InChI InChI=1S/C13H16Cl2N2O3S/c14-10-7-11(15)12(21(16,19)20)6-9(10)13(18)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,18)(H2,16,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	77	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
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50449834 (CHEMBL4173501) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(Cl)cc1Cl Show InChI InChI=1S/C13H16Cl2N2O3S/c14-10-7-11(15)12(21(16,19)20)6-9(10)13(18)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,18)(H2,16,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.600	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))	BDBM50449834 (CHEMBL4173501) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(Cl)cc1Cl Show InChI InChI=1S/C13H16Cl2N2O3S/c14-10-7-11(15)12(21(16,19)20)6-9(10)13(18)17-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,17,18)(H2,16,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 5B (40 to 317 residues) expressed in Escherichia coli Rosetta 2 (DE3)...				Eur J Med Chem 156: 61-78 (2018) Article DOI: 10.1016/j.ejmech.2018.06.059 BindingDB Entry DOI: 10.7270/Q2805559
					More data for this Ligand-Target Pair