Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50523349'   

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))	BDBM50523349 (CHEMBL4466844) Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CCC1=O)c1ccccc1 |c:12| Show InChI InChI=1S/C16H15N3O3S/c17-23(21,22)14-8-6-13(7-9-14)19-16(20)11-10-15(18-19)12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of membrane bound human CA 9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				Eur J Med Chem 168: 301-314 (2019) Article DOI: 10.1016/j.ejmech.2019.02.044 BindingDB Entry DOI: 10.7270/Q21C218G
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