Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50292008'   

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))	BDBM50292008 (CHEMBL1795065 | CHEMBL35272 | {{2-[2-(2-{Carboxyme...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)S(N)(=O)=O |w:27.27,6.7| Show InChI InChI=1S/C20H32N10O12S4/c1-27-17(43-19(25-27)45(21,37)38)23-13(31)9-29(11-15(33)34)3-5-41-7-8-42-6-4-30(12-16(35)36)10-14(32)24-18-28(2)26-20(44-18)46(22,39)40/h3-12H2,1-2H3,(H,33,34)(H,35,36)(H2,21,37,38)(H2,22,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	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))	BDBM50292008 (CHEMBL1795065 | CHEMBL35272 | {{2-[2-(2-{Carboxyme...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)S(N)(=O)=O |w:27.27,6.7| Show InChI InChI=1S/C20H32N10O12S4/c1-27-17(43-19(25-27)45(21,37)38)23-13(31)9-29(11-15(33)34)3-5-41-7-8-42-6-4-30(12-16(35)36)10-14(32)24-18-28(2)26-20(44-18)46(22,39)40/h3-12H2,1-2H3,(H,33,34)(H,35,36)(H2,21,37,38)(H2,22,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	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