Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50185301'   

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))	BDBM50185301 (CHEMBL3824097) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C26H36N6O10S2/c27-43(37,38)21-5-1-19(2-6-21)31-25(35)11-9-23(33)29-13-15-41-17-18-42-16-14-30-24(34)10-12-26(36)32-20-3-7-22(8-4-20)44(28,39)40/h1-8H,9-18H2,(H,29,33)(H,30,34)(H,31,35)(H,32,36)(H2,27,37,38)(H2,28,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) Article DOI: 10.1021/acs.jmedchem.6b00492 BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair