Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50174036'   

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))	BDBM50174036 (4-Chloro-6-(3-phenyl-ureido)-benzene-1,3-disulfoni...) Show SMILES NS(=O)(=O)c1cc(c(NC(=O)Nc2ccccc2)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C13H13ClN4O5S2/c14-9-6-10(18-13(19)17-8-4-2-1-3-5-8)12(25(16,22)23)7-11(9)24(15,20)21/h1-7H,(H2,15,20,21)(H2,16,22,23)(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitiory activity against human Carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 15: 4862-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.048 BindingDB Entry DOI: 10.7270/Q2NK3DMJ
					More data for this Ligand-Target Pair				3D Structure (docked)