Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50226809'   

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))	BDBM50226809 (CHEMBL4075724) Show SMILES Cn1nnc2c(ncn2c1=O)C(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H15N7O4S/c1-20-14(23)21-8-17-11(12(21)18-19-20)13(22)16-7-6-9-2-4-10(5-3-9)26(15,24)25/h2-5,8H,6-7H2,1H3,(H,16,22)(H2,15,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Maastricht University Medical Centre Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 2 after 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 691-702 (2017) Article DOI: 10.1016/j.ejmech.2016.10.037 BindingDB Entry DOI: 10.7270/Q2MK6G3G
					More data for this Ligand-Target Pair