Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50022106'   

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))	BDBM50022106 (CHEMBL3297803) Show SMILES CC1=NN2C=Nc3c(c(cn3-c3ccc(cc3)S(N)(=O)=O)-c3ccc(Br)cc3)C2=NC(=C1)c1ccccc1 |c:4,32,34,t:1| Show InChI InChI=1S/C28H21BrN6O2S/c1-18-15-25(20-5-3-2-4-6-20)32-28-26-24(19-7-9-21(29)10-8-19)16-34(27(26)31-17-35(28)33-18)22-11-13-23(14-12-22)38(30,36)37/h2-17H,1H3,(H2,30,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 22: 3684-95 (2014) Article DOI: 10.1016/j.bmc.2014.05.009 BindingDB Entry DOI: 10.7270/Q2N87CBZ
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