BDBM50454318 CHEMBL4202640

SMILES: C\C(CCC(O)C(C)=C)=C/COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1

InChI Key: InChIKey=KRZPNZMYDKLKPQ-RIYZIHGNSA-N

Data: 2 KI  2 IC50

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 4 hits for monomerid = 50454318   

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
Probable maltase-glucoamylase 2 (Homo sapiens)	BDBM50454318 (CHEMBL4202640) Show SMILES C\C(CCC(O)C(C)=C)=C/COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1 Show InChI InChI=1S/C23H24O6/c1-13(2)18(25)6-4-14(3)8-9-28-16-5-7-20-17(12-16)23(27)22-19(26)10-15(24)11-21(22)29-20/h5,7-8,10-12,18,24-26H,1,4,6,9H2,2-3H3/b14-8+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate by Dixon plot analysis				Bioorg Med Chem 26: 737-746 (2018) Article DOI: 10.1016/j.bmc.2017.12.043 BindingDB Entry DOI: 10.7270/Q2CJ8H34
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50454318 (CHEMBL4202640) Show SMILES C\C(CCC(O)C(C)=C)=C/COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1 Show InChI InChI=1S/C23H24O6/c1-13(2)18(25)6-4-14(3)8-9-28-16-5-7-20-17(12-16)23(27)22-19(26)10-15(24)11-21(22)29-20/h5,7-8,10-12,18,24-26H,1,4,6,9H2,2-3H3/b14-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis				Bioorg Med Chem 26: 737-746 (2018) Article DOI: 10.1016/j.bmc.2017.12.043 BindingDB Entry DOI: 10.7270/Q2CJ8H34
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50454318 (CHEMBL4202640) Show SMILES C\C(CCC(O)C(C)=C)=C/COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1 Show InChI InChI=1S/C23H24O6/c1-13(2)18(25)6-4-14(3)8-9-28-16-5-7-20-17(12-16)23(27)22-19(26)10-15(24)11-21(22)29-20/h5,7-8,10-12,18,24-26H,1,4,6,9H2,2-3H3/b14-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by spectrophotometry				Bioorg Med Chem 26: 737-746 (2018) Article DOI: 10.1016/j.bmc.2017.12.043 BindingDB Entry DOI: 10.7270/Q2CJ8H34
					More data for this Ligand-Target Pair
Probable maltase-glucoamylase 2 (Homo sapiens)	BDBM50454318 (CHEMBL4202640) Show SMILES C\C(CCC(O)C(C)=C)=C/COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1 Show InChI InChI=1S/C23H24O6/c1-13(2)18(25)6-4-14(3)8-9-28-16-5-7-20-17(12-16)23(27)22-19(26)10-15(24)11-21(22)29-20/h5,7-8,10-12,18,24-26H,1,4,6,9H2,2-3H3/b14-8+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using PNP-G as substrate measured for 15 mins by spectrophotometry				Bioorg Med Chem 26: 737-746 (2018) Article DOI: 10.1016/j.bmc.2017.12.043 BindingDB Entry DOI: 10.7270/Q2CJ8H34
					More data for this Ligand-Target Pair