Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50087042'   

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 2 (Homo sapiens (Human))	BDBM50087042 (CHEMBL3426542) Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)C#N |c:11| Show InChI InChI=1S/C9H5NO3S/c10-6-7-1-2-9-8(5-7)3-4-14(11,12)13-9/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	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-2 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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