Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50367289'   

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))	BDBM50367289 (CHEMBL1441824) Show SMILES Cc1c(CC(O)=O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 Show InChI InChI=1S/C20H13FO5/c1-10-13-6-15-16(11-2-4-12(21)5-3-11)9-25-17(15)8-18(13)26-20(24)14(10)7-19(22)23/h2-6,8-9H,7H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 1 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
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