Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50004513'   

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))	BDBM50004513 (CHEMBL3233393) Show SMILES COc1ccc(-c2cn(nn2)-c2ccc3C(=O)NS(=O)(=O)c3c2)c(C)c1 Show InChI InChI=1S/C17H14N4O4S/c1-10-7-12(25-2)4-6-13(10)15-9-21(20-18-15)11-3-5-14-16(8-11)26(23,24)19-17(14)22/h3-9H,1-2H3,(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.75E+3	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 carbonic anhydrase 1 expressed in Escherichia coli by stopped flow CO2 hydration assay				J Med Chem 57: 3522-31 (2014) Article DOI: 10.1021/jm500255y BindingDB Entry DOI: 10.7270/Q2NS0WF1
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