Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50502615'   

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))	BDBM50502615 (CHEMBL4474840) Show SMILES OB1OCc2ccc(NC3C(Nc4ccc5COB(O)c5c4)C(=O)C3=O)cc12 Show InChI InChI=1S/C18H16B2N2O6/c23-17-15(21-11-3-1-9-7-27-19(25)13(9)5-11)16(18(17)24)22-12-4-2-10-8-28-20(26)14(10)6-12/h1-6,15-16,21-22,25-26H,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.28E+3	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
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