Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50087254'   

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))	BDBM50087254 (4-[(7-Chloro-2-oxo-2H-chromen-4-ylmethyl)-amino]-3...) Show SMILES NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)c(I)c1 Show InChI InChI=1S/C16H12ClIN2O4S/c17-10-1-3-12-9(5-16(21)24-15(12)6-10)8-20-14-4-2-11(7-13(14)18)25(19,22)23/h1-7,20H,8H2,(H2,19,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of human cloned Carbonic anhydrase II				Bioorg Med Chem Lett 10: 673-6 (2000) BindingDB Entry DOI: 10.7270/Q2RV0P61
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