Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50469129'   

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 9 (Homo sapiens (Human))	BDBM50469129 (CHEMBL4282275) Show SMILES [#7]S(=O)(=O)c1ccc(cc1)-c1ncc(-[#6][Se;v2]c2ccccc2)[se;v2]1 Show InChI InChI=1S/C16H14N2O2SSe2/c17-21(19,20)13-8-6-12(7-9-13)16-18-10-15(23-16)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Eur J Med Chem 157: 1214-1222 (2018) Article DOI: 10.1016/j.ejmech.2018.08.096 BindingDB Entry DOI: 10.7270/Q2RR21ZR
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