Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50087045'   

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))	BDBM50087045 (CHEMBL3426539) Show SMILES O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1cccnc1 |c:11| Show InChI InChI=1S/C14H10N2O4S/c17-14(11-2-1-6-15-9-11)16-12-3-4-13-10(8-12)5-7-21(18,19)20-13/h1-9H,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
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