Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50248711'   

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))	BDBM50248711 (CHEMBL4072315) Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)\C=C\c1ccc(OC)cc1 |r| Show InChI InChI=1S/C17H23NO7/c1-23-11-6-3-10(4-7-11)5-8-13(20)18-14-16(22)15(21)12(9-19)25-17(14)24-2/h3-8,12,14-17,19,21-22H,9H2,1-2H3,(H,18,20)/b8-5+/t12-,14-,15-,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity towards HSV-1 thymidine kinase				Eur J Med Chem 132: 1-10 (2017) Article DOI: 10.1016/j.ejmech.2017.03.023 BindingDB Entry DOI: 10.7270/Q2WS8WNX
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