Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50054651'   

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 2 (Homo sapiens (Human))	BDBM50054651 (CHEMBL3323213) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H17N5O6S2/c1-10(21)17-11-4-8-14(9-5-11)28(25,26)20-19-15(22)18-12-2-6-13(7-3-12)27(16,23)24/h2-9,20H,1H3,(H,17,21)(H2,16,23,24)(H2,18,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
					More data for this Ligand-Target Pair