BDBM50120855 CHEMBL3618494

SMILES: C[C@@H]1O[C@@H](O[C@@H]2CO[C@@H](Oc3c(O)cc(cc3O)C3=C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[C@@H]4O[C@H](COC(=O)\C=C\c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=O)c4c(O)cc(O)cc4C3)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=HFLPEIGRXJDZGY-BPXGVSJSSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120855   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Pancreatic alpha-amylase (HPA) (Homo sapiens (Human))	BDBM50120855 (CHEMBL3618494) Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CO[C@@H](Oc3c(O)cc(cc3O)C3=C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[C@@H]4O[C@H](COC(=O)\C=C\c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=O)c4c(O)cc(O)cc4C3)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |r,c:19| Show InChI InChI=1S/C54H66O31/c1-17-33(62)39(68)44(73)51(77-17)80-30-16-76-50(43(72)37(30)66)83-47-26(59)11-20(12-27(47)60)24-10-21-9-23(57)13-25(58)32(21)38(67)46(24)82-53-48(41(70)34(63)18(2)78-53)85-54-49(84-52-45(74)40(69)35(64)28(14-55)79-52)42(71)36(65)29(81-54)15-75-31(61)8-5-19-3-6-22(56)7-4-19/h3-9,11-13,17-18,28-30,33-37,39-45,48-60,62-66,68-74H,10,14-16H2,1-2H3/b8-5+/t17-,18-,28+,29+,30+,33-,34-,35+,36+,37-,39+,40-,41+,42-,43+,44+,45+,48+,49+,50-,51-,52-,53-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Competitive inhibition of human pancreatic alpha-amylase by double reciprocal plot analysis				Bioorg Med Chem 23: 6725-32 (2015) BindingDB Entry DOI: 10.7270/Q21G0P2X
					More data for this Ligand-Target Pair