Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50504303'   

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))	BDBM50504303 (CHEMBL4526348) Show SMILES O=Cc1c(OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)ccc2ccccc12 Show InChI InChI=1S/C26H21N3O5/c30-16-23-22-5-2-1-4-18(22)7-10-24(23)33-17-20-15-29(28-27-20)12-3-13-32-21-9-6-19-8-11-26(31)34-25(19)14-21/h1-2,4-11,14-16H,3,12-13,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	190	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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