Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50278848'   

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))	BDBM50278848 (4-(4-{[beta-D-galactopyranosyl]sulfinylmethyl}-1-H...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CS(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1 |r| Show InChI InChI=1S/C15H20N4O8S2/c16-29(25,26)10-3-1-9(2-4-10)19-5-8(17-18-19)7-28(24)15-14(23)13(22)12(21)11(6-20)27-15/h1-5,11-15,20-23H,6-7H2,(H2,16,25,26)/t11-,12+,13+,14-,15+,28?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 2273-6 (2009) Article DOI: 10.1016/j.bmcl.2009.02.086 BindingDB Entry DOI: 10.7270/Q2QF8TSW
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