Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50341403'   

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))	BDBM50341403 (CHEMBL4173265) Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3C(=O)CCCc3n2)cc1 Show InChI InChI=1S/C14H14N4O3S/c15-22(20,21)10-6-4-9(5-7-10)17-14-16-8-11-12(18-14)2-1-3-13(11)19/h4-8H,1-3H2,(H2,15,20,21)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				J Med Chem 61: 5765-5770 (2018) Article DOI: 10.1021/acs.jmedchem.8b00670 BindingDB Entry DOI: 10.7270/Q2DB84F9
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