Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50284296'   

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))	BDBM50284296 (CHEMBL4160499) Show SMILES N\C(NNc1nc(Cl)nc(NCc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H23ClF3N9O4S3/c26-21-33-23(32-13-15-8-10-18(11-9-15)44(31,39)40)35-24(34-21)37-36-22(30)38-45(41,42)20-7-2-1-6-19(20)43-14-16-4-3-5-17(12-16)25(27,28)29/h1-12H,13-14H2,(H3,30,36,38)(H2,31,39,40)(H2,32,33,34,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
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