Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50258733'   

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 1 (Homo sapiens (Human))	BDBM50258733 (6,7-Dimethoxy-1-(3'-nitrophenyl)-3,4-dihydroisoqui...) Show SMILES COc1cc2CCN(C(c3cccc(c3)[N+]([O-])=O)c2cc1OC)S(N)(=O)=O Show InChI InChI=1S/C17H19N3O6S/c1-25-15-9-11-6-7-19(27(18,23)24)17(14(11)10-16(15)26-2)12-4-3-5-13(8-12)20(21)22/h3-5,8-10,17H,6-7H2,1-2H3,(H2,18,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length carbonic anhydrase 1 by stopped flow CO2 hydration method				Bioorg Med Chem 17: 3659-64 (2009) Article DOI: 10.1016/j.bmc.2009.03.066 BindingDB Entry DOI: 10.7270/Q21R6RFQ
					More data for this Ligand-Target Pair