BindingDB PrimarySearch

BDBM50232478 CHEMBL403233

SMILES: O[C@@]12CC\C=C/CCCCN3CC[C@@H](C(=C1)c1nccc4c5ccccc5[nH]c14)[C@]1(C[C@@H]4\C=C/CCCCN4[C@@H]21)C3

InChI Key: InChIKey=FUCSLKWLLSEMDQ-MKYGIPPKSA-N

Data: 12 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50232478
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50232478 (CHEMBL403233) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Louisiana at Monroe Curated by ChEMBL					Assay Description Inhibition of recombinant GSK3beta Z'-LYTE kinase assay kit method				J Med Chem 53: 8534-45 (2010) Article DOI: 10.1021/jm100941j BindingDB Entry DOI: 10.7270/Q2DB8230
University of Louisiana at Monroe Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50232478 (CHEMBL403233) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of human recombinant GSKbeta				J Nat Prod 70: 1397-405 (2007) Article DOI: 10.1021/np060092r BindingDB Entry DOI: 10.7270/Q2R78G2K
University of Mississippi Curated by ChEMBL					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50232478 (CHEMBL403233) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kumamoto University Curated by ChEMBL					Assay Description Non-competitive inhibition of human microsomal ACAT2 overexpressed in CHO cells using [14C]oleoyl-CoA as substrate assessed as formation of cholester...				Bioorg Med Chem 21: 3831-8 (2013) Article DOI: 10.1016/j.bmc.2013.04.025 BindingDB Entry DOI: 10.7270/Q2PV6MR1
Kumamoto University Curated by ChEMBL					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50232478 (CHEMBL403233) Show SMILES Show InChI	PDB KEGG DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kumamoto University Curated by ChEMBL					Assay Description Non-competitive inhibition of human microsomal ACAT1 overexpressed in CHO cells using [14C]oleoyl-CoA as substrate assessed as formation of cholester...				Bioorg Med Chem 21: 3831-8 (2013) Article DOI: 10.1016/j.bmc.2013.04.025 BindingDB Entry DOI: 10.7270/Q2PV6MR1
Kumamoto University Curated by ChEMBL					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50232478 (CHEMBL403233) Show SMILES Show InChI	PDB KEGG DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kumamoto University Curated by ChEMBL					Assay Description Non-competitive inhibition of microsomal ACAT in human MDM using [14C]oleoyl-CoA as substrate assessed as formation of cholesteryl [14C]-oleate after...				Bioorg Med Chem 21: 3831-8 (2013) Article DOI: 10.1016/j.bmc.2013.04.025 BindingDB Entry DOI: 10.7270/Q2PV6MR1
Kumamoto University Curated by ChEMBL					More data for this Ligand-Target Pair
Sortase A (SrtA) (Staphylococcus aureus)	BDBM50232478 (CHEMBL403233) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus ATCC 6538p SortA expressed in Escherichia coli using Dabcyl-QALPETGEE-Edans as substrate after 1 hr by fluorescen...				J Nat Prod 80: 1575-1583 (2017) Article DOI: 10.1021/acs.jnatprod.7b00121 BindingDB Entry DOI: 10.7270/Q2N87D8G
Seoul National University Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50232478 (CHEMBL403233) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta				Bioorg Med Chem 16: 6702-6 (2008) Article DOI: 10.1016/j.bmc.2008.05.079 BindingDB Entry DOI: 10.7270/Q2MP545W
The University of Mississippi Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50232478 (CHEMBL403233) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				J Nat Prod 71: 1218-21 (2008) Article DOI: 10.1021/np800163u BindingDB Entry DOI: 10.7270/Q2GX4CGM
The University of Mississippi Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50232478 (CHEMBL403233) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				J Nat Prod 71: 1218-21 (2008) Article DOI: 10.1021/np800163u BindingDB Entry DOI: 10.7270/Q2GX4CGM
The University of Mississippi Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50232478 (CHEMBL403233) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Non-ATP competitive inhibition of GSK3beta				Bioorg Med Chem Lett 22: 7232-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.043 BindingDB Entry DOI: 10.7270/Q2KD2034
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50232478 (CHEMBL403233) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p35				J Nat Prod 70: 1397-405 (2007) Article DOI: 10.1021/np060092r BindingDB Entry DOI: 10.7270/Q2R78G2K
University of Mississippi Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50232478 (CHEMBL403233) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Louisiana at Monroe Curated by ChEMBL					Assay Description Inhibition of recombinant GSK3-beta by ELISA				Bioorg Med Chem 17: 6032-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.054 BindingDB Entry DOI: 10.7270/Q2N87BQG
University of Louisiana at Monroe Curated by ChEMBL					More data for this Ligand-Target Pair