Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50109149'   

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))	BDBM50109149 (CHEMBL3601545) Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(O)cc1 Show InChI InChI=1S/C18H21N3O2/c1-14-3-2-4-16(13-14)20-9-11-21(12-10-20)18(23)19-15-5-7-17(22)8-6-15/h2-8,13,22H,9-12H2,1H3,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1
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