Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Probable maltase-glucoamylase 2' and Ligand = 'BDBM50502004'   

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)	BDBM50502004 (CHEMBL4453256) Show SMILES COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)c(n2)-c2ccc(Br)cc2)n1 Show InChI InChI=1S/C27H19Br2N5O2S2/c1-36-21-12-6-16(7-13-21)22-14-37-26(30-22)31-23(35)15-38-27-32-24(17-2-8-19(28)9-3-17)25(33-34-27)18-4-10-20(29)11-5-18/h2-14H,15H2,1H3,(H,30,31,35)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	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 15 mins followed by substr...				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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Probable maltase-glucoamylase 2 (Homo sapiens)	BDBM50502004 (CHEMBL4453256) Show SMILES COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)c(n2)-c2ccc(Br)cc2)n1 Show InChI InChI=1S/C27H19Br2N5O2S2/c1-36-21-12-6-16(7-13-21)22-14-37-26(30-22)31-23(35)15-38-27-32-24(17-2-8-19(28)9-3-17)25(33-34-27)18-4-10-20(29)11-5-18/h2-14H,15H2,1H3,(H,30,31,35)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Maharaja Ranjit Singh Punjab Technical University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl alpha-d-glucopyranoside as substrate preincubated for 15 mins followed by substr...				Eur J Med Chem 180: 486-508 (2019) Article DOI: 10.1016/j.ejmech.2019.07.043 BindingDB Entry DOI: 10.7270/Q2959N1V
					More data for this Ligand-Target Pair