Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50513664'   

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))	BDBM50513664 (CHEMBL4447743) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C19H24N4O2S/c1-15(21-22-17-7-11-19(12-8-17)26(20,24)25)16-5-9-18(10-6-16)23-13-3-2-4-14-23/h5-12,22H,2-4,13-14H2,1H3,(H2,20,24,25)/b21-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay				Eur J Med Chem 179: 547-556 (2019) Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81
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