Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50517084'   

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))	BDBM50517084 (CHEMBL4472017) Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(cc2)C(=O)NCCOc2ccc3oc(=O)ccc3c2)ccc1Cl Show InChI InChI=1S/C26H19ClF3N3O5/c27-21-8-6-18(14-20(21)26(28,29)30)33-25(36)32-17-4-1-15(2-5-17)24(35)31-11-12-37-19-7-9-22-16(13-19)3-10-23(34)38-22/h1-10,13-14H,11-12H2,(H,31,35)(H2,32,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111600 BindingDB Entry DOI: 10.7270/Q2542RZZ
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