Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50456995'   

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))	BDBM50456995 (CHEMBL4206779) Show SMILES CN1C(=O)\C(=C2/S\C(NC2=O)=N\c2ccc(cc2)S(N)(=O)=O)c2cc(Br)ccc12 Show InChI InChI=1S/C18H13BrN4O4S2/c1-23-13-7-2-9(19)8-12(13)14(17(23)25)15-16(24)22-18(28-15)21-10-3-5-11(6-4-10)29(20,26)27/h2-8H,1H3,(H2,20,26,27)(H,21,22,24)/b15-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay				Eur J Med Chem 139: 250-262 (2017) Article DOI: 10.1016/j.ejmech.2017.07.073 BindingDB Entry DOI: 10.7270/Q22F7R2C
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