Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50190137'   

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))	BDBM50190137 (CHEMBL3827090) Show SMILES COc1cc2c(nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c2=O)c(OC)c1OC Show InChI InChI=1S/C19H21N3O6S2/c1-26-14-10-13-15(17(28-3)16(14)27-2)21-19(29)22(18(13)23)9-8-11-4-6-12(7-5-11)30(20,24)25/h4-7,10H,8-9H2,1-3H3,(H,21,29)(H2,20,24,25)	PDB MMDB 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 4100-4107 (2016) Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH
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