Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50131682'   

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))	BDBM50131682 (CHEMBL3628132) Show SMILES Oc1cccc(CCOc2cccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)c2)c1 Show InChI InChI=1S/C25H24O6/c26-21-5-1-3-18(15-21)11-13-30-22-6-2-4-19(16-22)12-14-31-25(29)10-8-20-7-9-23(27)24(28)17-20/h1-10,15-17,26-28H,11-14H2/b10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 7181-8 (2015) Article DOI: 10.1016/j.bmc.2015.10.014 BindingDB Entry DOI: 10.7270/Q29W0HB2
					More data for this Ligand-Target Pair