Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50004944'   

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))	BDBM50004944 (CHEMBL2380753) Show SMILES [K+].[S-]C(=S)OCCC12CC3CC(CC(C3)C1)C2 |TLB:10:11:9.14.8:15,THB:10:9:11.12.16:15,12:11:8:14.13.15,12:13:10.11.16:8| Show InChI InChI=1S/C13H20OS2.K/c15-12(16)14-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13;/h9-11H,1-8H2,(H,15,16);/q;+1/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 56: 4691-700 (2013) Article DOI: 10.1021/jm400414j BindingDB Entry DOI: 10.7270/Q2M61MSD
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