Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50248513'   

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))	BDBM50248513 (CHEMBL4088203) Show SMILES CC(C)[C@@H](C[Se]C[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C24H36N2O4S2Se/c1-17(2)23(25-31(27,28)21-11-7-19(5)8-12-21)15-33-16-24(18(3)4)26-32(29,30)22-13-9-20(6)10-14-22/h7-14,17-18,23-26H,15-16H2,1-6H3/t23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.60E+3	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 recombinant human cytosolic carbonic anhydrase 2 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red base...				Bioorg Med Chem 25: 2518-2523 (2017) Article DOI: 10.1016/j.bmc.2017.03.013 BindingDB Entry DOI: 10.7270/Q25B04XC
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