Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase' and Ligand = 'BDBM50339604'   

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 (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM50339604 (CHEMBL605189 | N-butyl-2-(3-chloro-4-hydroxyphenyl...) Show SMILES CCCCNC(=O)Cc1ccc(O)c(Cl)c1 Show InChI InChI=1S/C12H16ClNO2/c1-2-3-6-14-12(16)8-9-4-5-11(15)10(13)7-9/h4-5,7,15H,2-3,6,8H2,1H3,(H,14,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM50339604 (CHEMBL605189 | N-butyl-2-(3-chloro-4-hydroxyphenyl...) Show SMILES CCCCNC(=O)Cc1ccc(O)c(Cl)c1 Show InChI InChI=1S/C12H16ClNO2/c1-2-3-6-14-12(16)8-9-4-5-11(15)10(13)7-9/h4-5,7,15H,2-3,6,8H2,1H3,(H,14,16)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair
Carbonic anhydrase (Mycobacterium tuberculosis)	BDBM50339604 (CHEMBL605189 | N-butyl-2-(3-chloro-4-hydroxyphenyl...) Show SMILES CCCCNC(=O)Cc1ccc(O)c(Cl)c1 Show InChI InChI=1S/C12H16ClNO2/c1-2-3-6-14-12(16)8-9-4-5-11(15)10(13)7-9/h4-5,7,15H,2-3,6,8H2,1H3,(H,14,16)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay				J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB
					More data for this Ligand-Target Pair