Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50087251'   

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))	BDBM50087251 (4-Chloro-6-[(7-chloro-2-oxo-2H-chromen-4-ylmethyl)...) Show SMILES NS(=O)(=O)c1cc(c(NCc2cc(=O)oc3cc(Cl)ccc23)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C16H13Cl2N3O6S2/c17-9-1-2-10-8(3-16(22)27-13(10)4-9)7-21-12-5-11(18)14(28(19,23)24)6-15(12)29(20,25)26/h1-6,21H,7H2,(H2,19,23,24)(H2,20,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	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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