Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50097282'   

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))	BDBM50097282 ((Carboxymethyl-{2-[carboxymethyl-(2-{carboxymethyl...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)c(I)c1 Show InChI InChI=1S/C20H28IN5O11S/c21-14-7-13(38(22,36)37)1-2-15(14)23-16(27)8-25(10-18(30)31)5-3-24(9-17(28)29)4-6-26(11-19(32)33)12-20(34)35/h1-2,7H,3-6,8-12H2,(H,23,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H2,22,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	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 Inhibitory activity against Human carbonic anhydrase II				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50097282 ((Carboxymethyl-{2-[carboxymethyl-(2-{carboxymethyl...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)c(I)c1 Show InChI InChI=1S/C20H28IN5O11S/c21-14-7-13(38(22,36)37)1-2-15(14)23-16(27)8-25(10-18(30)31)5-3-24(9-17(28)29)4-6-26(11-19(32)33)12-20(34)35/h1-2,7H,3-6,8-12H2,(H,23,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H2,22,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	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 cloned isozyme, human carbonic anhydrase II				Bioorg Med Chem Lett 11: 575-82 (2001) BindingDB Entry DOI: 10.7270/Q2KW5GJQ
					More data for this Ligand-Target Pair