SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 392.4
BDBM69609

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 8 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM69609 ((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, 38 Xueyuan Road, Beijing 100191, People's Republic of China. Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B using p-nitrophenyl phosphate as substrate after 30 mins				Bioorg Med Chem 25: 3706-3713 (2017) Article DOI: 10.1016/j.bmc.2017.05.009 BindingDB Entry DOI: 10.7270/Q2C82CRZ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM69609 ((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
University of Innsbruck Curated by ChEMBL					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM69609 ((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus J/8178/09 neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
University of Innsbruck Curated by ChEMBL					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM69609 ((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Hong Kong/1/1968(H3N2)) neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
University of Innsbruck Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM69609 ((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B using pNPP as substrate after 30 mins				J Nat Prod 80: 334-346 (2017) Article DOI: 10.1021/acs.jnatprod.6b00783 BindingDB Entry DOI: 10.7270/Q2XD146V
Peking University Curated by ChEMBL					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM69609 ((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus H1N1 B/55/08 neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
University of Innsbruck Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM69609 ((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate				Bioorg Med Chem Lett 23: 5836-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.102 BindingDB Entry DOI: 10.7270/Q28W3FQ0
Toho University Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM69609 ((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.84E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TX3CTT
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair