Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Probable maltase-glucoamylase 2' and Ligand = 'BDBM50502104'   

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
Probable maltase-glucoamylase 2 (Homo sapiens)	BDBM50502104 (CHEMBL4443277) Show SMILES Cc1cs\c(=N/C(=O)c2cc3ccccc3oc2=O)n1-c1cc(Cl)c(Cl)cc1Cl |(32.31,-13.75,;31.41,-12.51,;29.86,-12.51,;29.38,-11.03,;30.64,-10.12,;30.64,-8.57,;29.3,-7.8,;27.96,-8.57,;29.29,-6.26,;30.63,-5.49,;30.62,-3.95,;31.95,-3.19,;31.95,-1.65,;30.62,-.89,;29.29,-1.65,;29.29,-3.18,;27.96,-3.95,;27.95,-5.5,;26.62,-6.27,;31.89,-11.03,;33.43,-11.03,;34.2,-12.36,;35.74,-12.36,;36.51,-13.69,;36.5,-11.02,;38.05,-11.01,;35.72,-9.69,;34.19,-9.7,;33.41,-8.37,)| Show InChI InChI=1S/C20H11Cl3N2O3S/c1-10-9-29-20(25(10)16-8-14(22)13(21)7-15(16)23)24-18(26)12-6-11-4-2-3-5-17(11)28-19(12)27/h2-9H,1H3/b24-20-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Babasaheb Bhimrao Ambedkar University (A Central University) Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glucopyranoside as substrate preincubated for 5 mins followed by substra...				Eur J Med Chem 176: 343-377 (2019) Article DOI: 10.1016/j.ejmech.2019.04.025 BindingDB Entry DOI: 10.7270/Q2N87F09
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