Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4' and Ligand = 'BDBM50097288'   

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))	BDBM50097288 (((2-{Carboxymethyl-[2-(carboxymethyl-{[2-(5-sulfam...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)NCCC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)CC(O)=O)s1 Show InChI InChI=1S/C24H37N13O14S4/c25-54(48,49)23-33-31-21(52-23)29-14(38)1-3-27-16(40)9-36(12-19(44)45)7-5-35(11-18(42)43)6-8-37(13-20(46)47)10-17(41)28-4-2-15(39)30-22-32-34-24(53-22)55(26,50)51/h1-13H2,(H,27,40)(H,28,41)(H,42,43)(H,44,45)(H,46,47)(H2,25,48,49)(H2,26,50,51)(H,29,31,38)(H,30,32,39)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	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))	BDBM50097288 (((2-{Carboxymethyl-[2-(carboxymethyl-{[2-(5-sulfam...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)NCCC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)CC(O)=O)s1 Show InChI InChI=1S/C24H37N13O14S4/c25-54(48,49)23-33-31-21(52-23)29-14(38)1-3-27-16(40)9-36(12-19(44)45)7-5-35(11-18(42)43)6-8-37(13-20(46)47)10-17(41)28-4-2-15(39)30-22-32-34-24(53-22)55(26,50)51/h1-13H2,(H,27,40)(H,28,41)(H,42,43)(H,44,45)(H,46,47)(H2,25,48,49)(H2,26,50,51)(H,29,31,38)(H,30,32,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	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