Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50502604'   

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))	BDBM50502604 (CHEMBL4575821) Show SMILES OB1OCc2ccc(NC(=O)CC(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C17H16B2N2O6/c22-16(20-12-3-1-10-8-26-18(24)14(10)5-12)7-17(23)21-13-4-2-11-9-27-19(25)15(11)6-13/h1-6,24-25H,7-9H2,(H,20,22)(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
					More data for this Ligand-Target Pair