Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pancreatic alpha-amylase' and Ligand = 'BDBM50033629'   

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
Pancreatic alpha-amylase (Homo sapiens (Human))	BDBM50033629 (3-{2-[2-(2-{2-[2-tert-Butoxycarbonylamino-3-(4-sul...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C51H68N8O13S/c1-6-8-18-38(56-48(66)40(59-50(68)72-51(3,4)5)27-33-21-23-35(24-22-33)73(69,70)71)45(63)54-31-43(60)55-41(28-34-30-53-37-20-14-13-17-36(34)37)49(67)57-39(19-9-7-2)47(65)58-42(29-44(61)62)46(64)52-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,53H,6-9,18-19,25-29,31H2,1-5H3,(H,52,64)(H,54,63)(H,55,60)(H,56,66)(H,57,67)(H,58,65)(H,59,68)(H,61,62)(H,69,70,71)/t38-,39-,40-,41-,42-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
EP CNRS 51 Curated by ChEMBL					Assay Description Tested in vitro for amylase release from rat pancreatic acini (percent of secretion)				J Med Chem 36: 3021-8 (1993) BindingDB Entry DOI: 10.7270/Q2PZ57VG
					More data for this Ligand-Target Pair