Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50504754'   

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))	BDBM50504754 (CHEMBL4561594) Show SMILES C\C(=N/NC(=O)c1nc(N)n(n1)-c1ccc(cc1)S(N)(=O)=O)c1ccncc1 Show InChI InChI=1S/C16H16N8O3S/c1-10(11-6-8-19-9-7-11)21-22-15(25)14-20-16(17)24(23-14)12-2-4-13(5-3-12)28(18,26)27/h2-9H,1H3,(H,22,25)(H2,17,20,23)(H2,18,26,27)/b21-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843 BindingDB Entry DOI: 10.7270/Q2WW7N05
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