BDBM24941 (2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methylidene}-3-oxobutanenitrile::CHEMBL228043::LFM-A13::Thr1 inhibitor, 2::alpha-cyano-beta-hydroxy-beta-methyl-N-(2,5-dibromophenyl)propenamide

SMILES: CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br

InChI Key: InChIKey=BQLDGDMKDYAGNE-UHFFFAOYSA-N

Data: 2 KI  15 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 16 hits for monomerid = 24941   

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
Polo-Like Kinase 3 (Homo sapiens (Human))	BDBM24941 ((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...) Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.20E+3	-6.94	6.10E+4	n/a	n/a	n/a	n/a	7.0	22
Paradigm Pharmaceuticals					Assay Description The mode of human PLK3 inhibition by LFM-A13 was examined in titration experiments using increasing concentrations of [gamma-32P]ATP and purified N-t...				Bioorg Med Chem 15: 800-14 (2007) Article DOI: 10.1016/j.bmc.2006.10.050 BindingDB Entry DOI: 10.7270/Q2Z60MCR
					More data for this Ligand-Target Pair
Homoserine kinase (Escherichia coli)	BDBM24941 ((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...) Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20E+4	-6.98	n/a	n/a	n/a	n/a	n/a	7.5	37
McMaster University					Assay Description The phosphorylation of L-Hse was monitored by coupling the formation of ADP with pyruvate kinase and lactate dehydrogenase (PK/LDH). The resulting o...				Chembiochem 12: 1179-82 (2011) Article DOI: 10.1002/cbic.201100121 BindingDB Entry DOI: 10.7270/Q24T6GWV
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM24941 ((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...) Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Paradigm Pharmaceuticals					Assay Description The specificity of LFM-A13 was further examined against a broad panel of serine-threonine kinases and tyrosine kinases using the KinaseProfiler Assay...				Bioorg Med Chem 15: 800-14 (2007) Article DOI: 10.1016/j.bmc.2006.10.050 BindingDB Entry DOI: 10.7270/Q2Z60MCR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM24941 ((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...) Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Paradigm Pharmaceuticals					Assay Description The specificity of LFM-A13 was further examined against a broad panel of serine-threonine kinases and tyrosine kinases using the KinaseProfiler Assay...				Bioorg Med Chem 15: 800-14 (2007) Article DOI: 10.1016/j.bmc.2006.10.050 BindingDB Entry DOI: 10.7270/Q2Z60MCR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BRK (Homo sapiens (Human))	BDBM24941 ((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...) Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
Paradigm Pharmaceuticals					Assay Description The specificity of LFM-A13 was further examined against a broad panel of serine-threonine kinases and tyrosine kinases using the KinaseProfiler Assay...				Bioorg Med Chem 15: 800-14 (2007) Article DOI: 10.1016/j.bmc.2006.10.050 BindingDB Entry DOI: 10.7270/Q2Z60MCR
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM24941 ((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...) Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.81E+5	n/a	n/a	n/a	n/a	n/a	n/a
Paradigm Pharmaceuticals					Assay Description The specificity of LFM-A13 was further examined against a broad panel of serine-threonine kinases and tyrosine kinases using the KinaseProfiler Assay...				Bioorg Med Chem 15: 800-14 (2007) Article DOI: 10.1016/j.bmc.2006.10.050 BindingDB Entry DOI: 10.7270/Q2Z60MCR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM24941 ((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...) Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK expressed in baculovirus expression vector system				J Med Chem 55: 4539-50 (2012) Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM24941 ((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...) Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Paradigm Pharmaceuticals					Assay Description The specificity of LFM-A13 was further examined against a broad panel of serine-threonine kinases and tyrosine kinases using the KinaseProfiler Assay...				Bioorg Med Chem 15: 800-14 (2007) Article DOI: 10.1016/j.bmc.2006.10.050 BindingDB Entry DOI: 10.7270/Q2Z60MCR
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24941 ((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...) Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Paradigm Pharmaceuticals					Assay Description The specificity of LFM-A13 was further examined against a broad panel of serine-threonine kinases and tyrosine kinases using the KinaseProfiler Assay...				Bioorg Med Chem 15: 800-14 (2007) Article DOI: 10.1016/j.bmc.2006.10.050 BindingDB Entry DOI: 10.7270/Q2Z60MCR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM24941 ((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...) Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BTK				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM24941 ((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...) Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant BTK				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM24941 ((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...) Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Plk3				Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM24941 ((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...) Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of BTK				Bioorg Med Chem 17: 1079-87 (2009) Article DOI: 10.1016/j.bmc.2008.02.046 BindingDB Entry DOI: 10.7270/Q2M046C4
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM24941 ((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...) Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Paradigm Pharmaceuticals					Assay Description The specificity of LFM-A13 was further examined against a broad panel of serine-threonine kinases and tyrosine kinases using the KinaseProfiler Assay...				Bioorg Med Chem 15: 800-14 (2007) Article DOI: 10.1016/j.bmc.2006.10.050 BindingDB Entry DOI: 10.7270/Q2Z60MCR
					More data for this Ligand-Target Pair
Polo-Like Kinase 1 (Xenopus laevis)	BDBM24941 ((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...) Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.5	22
Paradigm Pharmaceuticals					Assay Description Purified Plx1 was first incubated with different concentrations of LFM-A13. The substrate, GST-Cdc25 peptide (254-316) and [gamma-32P]ATP were added ...				Bioorg Med Chem 15: 800-14 (2007) Article DOI: 10.1016/j.bmc.2006.10.050 BindingDB Entry DOI: 10.7270/Q2Z60MCR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM24941 ((2Z)-2-{[(2,5-dibromophenyl)amino](hydroxy)methyli...) Show SMILES CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br Show InChI InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,8H,1H3,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Paradigm Pharmaceuticals					Assay Description The specificity of LFM-A13 was further examined against a broad panel of serine-threonine kinases and tyrosine kinases using the KinaseProfiler Assay...				Bioorg Med Chem 15: 800-14 (2007) Article DOI: 10.1016/j.bmc.2006.10.050 BindingDB Entry DOI: 10.7270/Q2Z60MCR
					More data for this Ligand-Target Pair