Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase' and Ligand = 'BDBM50010231'   

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 (Drosophila melanogaster)	BDBM50010231 (CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...) Show SMILES CCN(CC)C([S-])=S Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
Carbonic anhydrase (Helicobacter pylori)	BDBM50010231 (CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...) Show SMILES CCN(CC)C([S-])=S Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	7.40E+3	-29.3	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity Khalifah RG. The carbon dioxide hy...				J Enzyme Inhib Med Chem 28: 388-91 (2013) Article DOI: 10.3109/14756366.2011.649268 BindingDB Entry DOI: 10.7270/Q2S75F7K
					More data for this Ligand-Target Pair
Carbonic anhydrase (Vibrio cholerae serotype O1 (strain ATCC 39315 / E...)	BDBM50010231 (CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...) Show SMILES CCN(CC)C([S-])=S Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.30E+4	-24.5	n/a	n/a	n/a	n/a	n/a	7.5	20
Universit£ degli Studi di Firenze					Assay Description Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 3413-7 (2016) Article DOI: 10.1016/j.bmc.2016.05.029 BindingDB Entry DOI: 10.7270/Q2W9583B
					More data for this Ligand-Target Pair
Carbonic anhydrase (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50010231 (CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...) Show SMILES CCN(CC)C([S-])=S Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.3	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 by CO2 hydration reaction based colorimetric stopped-flow method				Bioorg Med Chem 23: 4831-8 (2015) Article DOI: 10.1016/j.bmc.2015.05.029 BindingDB Entry DOI: 10.7270/Q20V8FK8
					More data for this Ligand-Target Pair
Carbonic anhydrase (Astrosclera willeyana)	BDBM50010231 (CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...) Show SMILES CCN(CC)C([S-])=S Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Astrosclera willeyana recombinant GST-tagged astrosclerin 3 expressed in Escherichia coli BL21-DE3-RIPL cells preincubated for 15 mins ...				Bioorg Med Chem Lett 22: 1314-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.085 BindingDB Entry DOI: 10.7270/Q2W66M7M
					More data for this Ligand-Target Pair
Carbonic anhydrase (Vibrio cholerae)	BDBM50010231 (CHEMBL107217 | Ditiocarb sodium | Sodium salt of D...) Show SMILES CCN(CC)C([S-])=S Show InChI InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)/p-1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	7.30E+5	-17.6	n/a	n/a	n/a	n/a	n/a	7.5	20
Universit£ degli Studi di Firenze					Assay Description Inhibition of Vibrio cholerae carbonic anhydrase beta preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 3413-7 (2016) Article DOI: 10.1016/j.bmc.2016.05.029 BindingDB Entry DOI: 10.7270/Q2W9583B
					More data for this Ligand-Target Pair