Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50170753'   

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))	BDBM50170753 (2,4,5-Trimethyl-1-(4-sulfamoyl-benzyl)-pyridinium;...) Show SMILES Cc1cc(C)[n+](Cc2ccc(cc2)S(N)(=O)=O)cc1C Show InChI InChI=1S/C15H19N2O2S/c1-11-8-13(3)17(9-12(11)2)10-14-4-6-15(7-5-14)20(16,18)19/h4-9H,10H2,1-3H3,(H2,16,18,19)/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+3	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 Inhibition constant against human (cloned) isozyme (hCA I) by the CO2 hydration method				J Med Chem 48: 4834-41 (2005) Article DOI: 10.1021/jm0501073 BindingDB Entry DOI: 10.7270/Q21G0KS3
					More data for this Ligand-Target Pair