Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4' and Ligand = 'BDBM50303033'   

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 (Homo sapiens (Human))	BDBM50303033 (CHEMBL585756 | Ethyl-((4S,6S)-6-methyl-7,7-dioxo-2...) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)C(=O)OCCCCO[N+]([O-])=O |r| Show InChI InChI=1S/C15H23N3O9S3/c1-3-17(15(19)26-6-4-5-7-27-18(20)21)12-8-10(2)29(22,23)14-11(12)9-13(28-14)30(16,24)25/h9-10,12H,3-8H2,1-2H3,(H2,16,24,25)/t10-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair				3D Structure (docked)