Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50094352'   

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))	BDBM50094352 (CHEMBL140370 | Trifluoro-methanesulfonic acid 2-(2...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)C(F)(F)F)cc2s1 Show InChI InChI=1S/C10H9F3N2O6S3/c11-10(12,13)24(18,19)21-4-3-20-6-1-2-7-8(5-6)22-9(15-7)23(14,16)17/h1-2,5H,3-4H2,(H2,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase I (CA1)				J Med Chem 43: 4542-51 (2000) BindingDB Entry DOI: 10.7270/Q2BV7HBP
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