Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50087252'   

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))	BDBM50087252 (4,5-Dichloro-6-[(7-chloro-2-oxo-2H-chromen-4-ylmet...) Show SMILES NS(=O)(=O)c1cc(c(NCc2cc(=O)oc3cc(Cl)ccc23)c(Cl)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C16H12Cl3N3O6S2/c17-8-1-2-9-7(3-13(23)28-10(9)4-8)6-22-16-12(30(21,26)27)5-11(29(20,24)25)14(18)15(16)19/h1-5,22H,6H2,(H2,20,24,25)(H2,21,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	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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