BindingDB PrimarySearch

BDBM7307 5-benzyl-9-bromopaullone::8-benzyl-14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one::CHEMBL99779::NSC 702377::Paullone Analog 46

SMILES: Brc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1

InChI Key: InChIKey=HMNQLGPAVMICRU-UHFFFAOYSA-N

Data: 14 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 7307
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
Cyclin-Dependent Kinase 1 (CDK1) (Marthasterias glacialis (starfish))	BDBM7307 (5-benzyl-9-bromopaullone \| 8-benzyl-14-bromo-8,18-...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	30
CNRS					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				Eur J Biochem 267: 5983-94 (2000) Article DOI: 10.1046/j.1432-1327.2000.01673.x BindingDB Entry DOI: 10.7270/Q2CR5RJS
CNRS					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM7307 (5-benzyl-9-bromopaullone \| 8-benzyl-14-bromo-8,18-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+5	n/a	n/a	n/a	n/a	n/a	30
CNRS					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				Eur J Biochem 267: 5983-94 (2000) Article DOI: 10.1046/j.1432-1327.2000.01673.x BindingDB Entry DOI: 10.7270/Q2CR5RJS
CNRS					More data for this Ligand-Target Pair
Glycogen Synthase Kinase-3, beta (Rattus norvegicus (rat))	BDBM7307 (5-benzyl-9-bromopaullone \| 8-benzyl-14-bromo-8,18-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	30
CNRS					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				Eur J Biochem 267: 5983-94 (2000) Article DOI: 10.1046/j.1432-1327.2000.01673.x BindingDB Entry DOI: 10.7270/Q2CR5RJS
CNRS					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7307 (5-benzyl-9-bromopaullone \| 8-benzyl-14-bromo-8,18-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Hamburg Curated by ChEMBL					Assay Description In vitro inhibitory activity against cyclin-dependent kinase 1-cyclin B (Cyclin-Dependent Kinase) harvested from starfish oocytes.				J Med Chem 42: 2909-19 (1999) Article DOI: 10.1021/jm9900570 BindingDB Entry DOI: 10.7270/Q21C1W2R
Universität Hamburg Curated by ChEMBL					More data for this Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human))	BDBM7307 (5-benzyl-9-bromopaullone \| 8-benzyl-14-bromo-8,18-...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-Universität Freiburg Curated by ChEMBL					Assay Description Inhibition of human SIRT1 by radioactive deacetylase assay				J Med Chem 49: 7307-16 (2006) Article DOI: 10.1021/jm060118b BindingDB Entry DOI: 10.7270/Q2TQ616P
Albert-Ludwigs-Universität Freiburg Curated by ChEMBL					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM7307 (5-benzyl-9-bromopaullone \| 8-benzyl-14-bromo-8,18-...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-Universität Freiburg Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 by fluorescent deacetylase assay				J Med Chem 49: 7307-16 (2006) Article DOI: 10.1021/jm060118b BindingDB Entry DOI: 10.7270/Q2TQ616P
Albert-Ludwigs-Universität Freiburg Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7307 (5-benzyl-9-bromopaullone \| 8-benzyl-14-bromo-8,18-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Eur J Med Chem 45: 335-42 (2010) Article DOI: 10.1016/j.ejmech.2009.10.018 BindingDB Entry DOI: 10.7270/Q26W9C1V
Technische Universit£t Braunschweig Curated by ChEMBL					More data for this Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human))	BDBM7307 (5-benzyl-9-bromopaullone \| 8-benzyl-14-bromo-8,18-...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-Universität Freiburg Curated by ChEMBL					Assay Description Inhibition of human SIRT1 by fluorescent deacetylase assay				J Med Chem 49: 7307-16 (2006) Article DOI: 10.1021/jm060118b BindingDB Entry DOI: 10.7270/Q2TQ616P
Albert-Ludwigs-Universität Freiburg Curated by ChEMBL					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM7307 (5-benzyl-9-bromopaullone \| 8-benzyl-14-bromo-8,18-...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-Universität Freiburg Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2				J Med Chem 49: 7307-16 (2006) Article DOI: 10.1021/jm060118b BindingDB Entry DOI: 10.7270/Q2TQ616P
Albert-Ludwigs-Universität Freiburg Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human))	BDBM7307 (5-benzyl-9-bromopaullone \| 8-benzyl-14-bromo-8,18-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclin B expressed in M phase starfish oocyte				Eur J Med Chem 45: 335-42 (2010) Article DOI: 10.1016/j.ejmech.2009.10.018 BindingDB Entry DOI: 10.7270/Q26W9C1V
Technische Universit£t Braunschweig Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7307 (5-benzyl-9-bromopaullone \| 8-benzyl-14-bromo-8,18-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of GSK3-beta expressed in insect Sf9 cells				Eur J Med Chem 45: 335-42 (2010) Article DOI: 10.1016/j.ejmech.2009.10.018 BindingDB Entry DOI: 10.7270/Q26W9C1V
Technische Universit£t Braunschweig Curated by ChEMBL					More data for this Ligand-Target Pair
Malate dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM7307 (5-benzyl-9-bromopaullone \| 8-benzyl-14-bromo-8,18-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mitochondrial malate dehydrogenase by spectrophotometry				Eur J Med Chem 45: 335-42 (2010) Article DOI: 10.1016/j.ejmech.2009.10.018 BindingDB Entry DOI: 10.7270/Q26W9C1V
Technische Universit£t Braunschweig Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human))	BDBM7307 (5-benzyl-9-bromopaullone \| 8-benzyl-14-bromo-8,18-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclin B				Eur J Med Chem 45: 335-42 (2010) Article DOI: 10.1016/j.ejmech.2009.10.018 BindingDB Entry DOI: 10.7270/Q26W9C1V
Technische Universit£t Braunschweig Curated by ChEMBL					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM7307 (5-benzyl-9-bromopaullone \| 8-benzyl-14-bromo-8,18-...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-Universität Freiburg Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2 by radioactive deacetylase assay				J Med Chem 49: 7307-16 (2006) Article DOI: 10.1021/jm060118b BindingDB Entry DOI: 10.7270/Q2TQ616P
Albert-Ludwigs-Universität Freiburg Curated by ChEMBL					More data for this Ligand-Target Pair