Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4' and Ligand = 'BDBM50097293'   

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 4 (Bos taurus (bovine))	BDBM50097293 (CHEMBL34852 | {(2-{[2-(Bis-carboxymethyl-amino)-et...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C23H31N5O13S2/c24-43(38,39)23-25-16-2-1-15(9-17(16)42-23)40-7-8-41-22(37)14-28(13-21(35)36)6-4-26(10-18(29)30)3-5-27(11-19(31)32)12-20(33)34/h1-2,9H,3-8,10-14H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,24,38,39)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	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 bovine carbonic anhydrase IV				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50097293 (CHEMBL34852 | {(2-{[2-(Bis-carboxymethyl-amino)-et...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C23H31N5O13S2/c24-43(38,39)23-25-16-2-1-15(9-17(16)42-23)40-7-8-41-22(37)14-28(13-21(35)36)6-4-26(10-18(29)30)3-5-27(11-19(31)32)12-20(33)34/h1-2,9H,3-8,10-14H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,24,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	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 IV				Bioorg Med Chem Lett 11: 575-82 (2001) BindingDB Entry DOI: 10.7270/Q2KW5GJQ
					More data for this Ligand-Target Pair