Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50097290'   

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))	BDBM50097290 (CHEMBL32208 | {{2-[Carboxymethyl-(2-{carboxymethyl...) Show SMILES NS(=O)(=O)c1cc(c(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2c(Cl)c(Cl)c(cc2S(N)(=O)=O)S(N)(=O)=O)CC(O)=O)CC(O)=O)c(Cl)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C26H33Cl4N9O16S4/c27-21-12(56(31,48)49)5-14(58(33,52)53)25(23(21)29)35-16(40)7-38(10-19(44)45)3-1-37(9-18(42)43)2-4-39(11-20(46)47)8-17(41)36-26-15(59(34,54)55)6-13(57(32,50)51)22(28)24(26)30/h5-6H,1-4,7-11H2,(H,35,40)(H,36,41)(H,42,43)(H,44,45)(H,46,47)(H2,31,48,49)(H2,32,50,51)(H2,33,52,53)(H2,34,54,55)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	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))	BDBM50097290 (CHEMBL32208 | {{2-[Carboxymethyl-(2-{carboxymethyl...) Show SMILES NS(=O)(=O)c1cc(c(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2c(Cl)c(Cl)c(cc2S(N)(=O)=O)S(N)(=O)=O)CC(O)=O)CC(O)=O)c(Cl)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C26H33Cl4N9O16S4/c27-21-12(56(31,48)49)5-14(58(33,52)53)25(23(21)29)35-16(40)7-38(10-19(44)45)3-1-37(9-18(42)43)2-4-39(11-20(46)47)8-17(41)36-26-15(59(34,54)55)6-13(57(32,50)51)22(28)24(26)30/h5-6H,1-4,7-11H2,(H,35,40)(H,36,41)(H,42,43)(H,44,45)(H,46,47)(H2,31,48,49)(H2,32,50,51)(H2,33,52,53)(H2,34,54,55)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	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