Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50504286'   

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))	BDBM50504286 (CHEMBL4475016) Show SMILES O=Cc1cccc(OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)c1 Show InChI InChI=1S/C22H19N3O5/c26-14-16-3-1-4-19(11-16)29-15-18-13-25(24-23-18)9-2-10-28-20-7-5-17-6-8-22(27)30-21(17)12-20/h1,3-8,11-14H,2,9-10,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
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