Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50049465'   

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))	BDBM50049465 (CHEMBL3314176) Show SMILES CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H34N4O6S/c1-15(26)25-18(7-5-6-13-24-20(28)31-21(2,3)4)19(27)23-14-12-16-8-10-17(11-9-16)32(22,29)30/h8-11,18H,5-7,12-14H2,1-4H3,(H,23,27)(H,24,28)(H,25,26)(H2,22,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	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 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 4006-10 (2014) Article DOI: 10.1016/j.bmcl.2014.06.024 BindingDB Entry DOI: 10.7270/Q2SX6FVX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50049465 (CHEMBL3314176) Show SMILES CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H34N4O6S/c1-15(26)25-18(7-5-6-13-24-20(28)31-21(2,3)4)19(27)23-14-12-16-8-10-17(11-9-16)32(22,29)30/h8-11,18H,5-7,12-14H2,1-4H3,(H,23,27)(H,24,28)(H,25,26)(H2,22,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	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 Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 826-30 (2014) Article DOI: 10.1021/ml500192a BindingDB Entry DOI: 10.7270/Q27P912D
					More data for this Ligand-Target Pair