Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50097304'   

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))	BDBM50097304 (CHEMBL32096 | [Carboxymethyl-(2-{carboxymethyl-[2-...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H33N5O11S/c23-39(37,38)17-3-1-16(2-4-17)5-6-24-18(28)11-26(13-20(31)32)9-7-25(12-19(29)30)8-10-27(14-21(33)34)15-22(35)36/h1-4H,5-15H2,(H,24,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,23,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	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))	BDBM50097304 (CHEMBL32096 | [Carboxymethyl-(2-{carboxymethyl-[2-...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H33N5O11S/c23-39(37,38)17-3-1-16(2-4-17)5-6-24-18(28)11-26(13-20(31)32)9-7-25(12-19(29)30)8-10-27(14-21(33)34)15-22(35)36/h1-4H,5-15H2,(H,24,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,23,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	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