BindingDB PrimarySearch

BDBM50126829 (E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl)-3-phenylprop-2-en-1-one::1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl)-3-phenylprop-2-en-1-one::1-[6-(3-Acetyl-2,4,6-trihydroxy-5-methyl-benzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl]-3-phenyl-propenone::CHEMBL34241::R5648 (Rottlerin)::ROTTLERIN

SMILES: CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3C=CC(C)(C)Oc3c(C(=O)C=Cc3ccccc3)c2O)c1O

InChI Key: InChIKey=DEZFNHCVIZBHBI-UHFFFAOYSA-N

Data: 11 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50126829
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
TGM2/ cRaf Kinase (Homo sapiens (Human))	BDBM50126829 ((E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	37
Duke University Medical Center					Assay Description In order to eliminated fluorescence interference, chemicals were subjected to a secondary screening using colorimetric BP incorporation assay. TGase...				Chem Biol 15: 969-78 (2008) Article DOI: 10.1016/j.chembiol.2008.07.015 BindingDB Entry DOI: 10.7270/Q2DR2SZR
Duke University Medical Center					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 5 (Homo sapiens (Human))	BDBM50126829 ((E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of His-tagged human PRAK expressed in Sf9 cells				Biochem J 351: 95-105 (2001) BindingDB Entry DOI: 10.7270/Q24T6JKN
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50126829 ((E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of His-tagged human MAPKAPK2 expressed in Escherichia coli at 10 uM				Biochem J 351: 95-105 (2001) BindingDB Entry DOI: 10.7270/Q24T6JKN
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-chymotrypsin (Homo sapiens (Human))	BDBM50126829 ((E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl...) Show SMILES Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank 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
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Chymotrypsinogen from Thermus flavus				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair
Malate dehydrogenase (Thermus thermophilus)	BDBM50126829 ((E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against malate dehydrogenase (MDH) from Thermus flavus				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50126829 ((E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae beta-lactamase incubated for 10 mins followed by nitrocefin substrate challenge and measured for 5 mins by spectro...				ACS Med Chem Lett 10: 923-928 (2019) Article DOI: 10.1021/acsmedchemlett.9b00093
Kyushu University Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50126829 ((E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of Protein kinase C delta (PKCdelta)				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase AmpC (Escherichia coli)	BDBM50126829 ((E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Amp C beta-Lactamase				J Med Chem 46: 4265-72 (2003) Article DOI: 10.1021/jm030266r BindingDB Entry DOI: 10.7270/Q29C6Z59
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 (Homo sapiens (Human))	BDBM50126829 ((E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Health Center Curated by ChEMBL					Assay Description Inhibition of human USP1/UAF1 complex using Ub-Rho as substrate by qHTS assay				J Med Chem 59: 9321-9336 (2016) BindingDB Entry DOI: 10.7270/Q2ZC84TJ
University of Connecticut Health Center Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50126829 ((E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae beta-lactamase incubated for 10 mins followed by nitrocefin substrate challenge and measured for 5 mins in presenc...				ACS Med Chem Lett 10: 923-928 (2019) Article DOI: 10.1021/acsmedchemlett.9b00093
Kyushu University Curated by ChEMBL					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 5 (Homo sapiens (Human))	BDBM50126829 ((E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of p38-regulated activated kinase (PRAK)				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair