Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50351139'   

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))	BDBM50351139 (CHEMBL1817901) Show SMILES NS(=O)(=O)c1cnccc1-[n+]1ccccc1 Show InChI InChI=1S/C10H10N3O2S/c11-16(14,15)10-8-12-5-4-9(10)13-6-2-1-3-7-13/h1-8H,(H2,11,14,15)/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	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 46: 4403-10 (2011) Article DOI: 10.1016/j.ejmech.2011.07.011 BindingDB Entry DOI: 10.7270/Q2RF5VDJ
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