BindingDB PrimarySearch

BDBM26813 CHEMBL460824::N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-cyanobenzamide::acylated 2-aminobenzimidazole, 7

SMILES: CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1

InChI Key: InChIKey=UPBLLWLBMPEKKB-UHFFFAOYSA-N

Data: 10 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 26813
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
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM26813 (CHEMBL460824 \| N-[(2E)-5-[benzene(methyl)amido]-1-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	7.0	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Kinase is purified as a GST-fusion protein. The kinase activity is measured using DELFIA which utilizes europium chelate-labeled anti-phosphotyrosine...				Bioorg Med Chem Lett 19: 773-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.028 BindingDB Entry DOI: 10.7270/Q2736P62
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM26813 (CHEMBL460824 \| N-[(2E)-5-[benzene(methyl)amido]-1-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Kinase is purified as a GST-fusion protein. The kinase activity is measured using DELFIA which utilizes europium chelate-labeled anti-phosphotyrosine...				Bioorg Med Chem Lett 19: 773-7 (2009) Article DOI: 10.1016/j.bmcl.2008.12.028 BindingDB Entry DOI: 10.7270/Q2736P62
Boehringer Ingelheim Pharmaceuticals Inc.					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM26813 (CHEMBL460824 \| N-[(2E)-5-[benzene(methyl)amido]-1-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of recombinant ITK (unknown origin) by DELFIA assay				Bioorg Med Chem Lett 18: 5537-40 (2008) Article DOI: 10.1016/j.bmcl.2008.09.017 BindingDB Entry DOI: 10.7270/Q208655Z
Johnson & Johnson Curated by ChEMBL					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM26813 (CHEMBL460824 \| N-[(2E)-5-[benzene(methyl)amido]-1-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of IRK				Bioorg Med Chem Lett 18: 5537-40 (2008) Article DOI: 10.1016/j.bmcl.2008.09.017 BindingDB Entry DOI: 10.7270/Q208655Z
Johnson & Johnson Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM26813 (CHEMBL460824 \| N-[(2E)-5-[benzene(methyl)amido]-1-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of ITK by DELFIA assay				Bioorg Med Chem Lett 18: 5545-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.015 BindingDB Entry DOI: 10.7270/Q2M32VMD
Johnson & Johnson Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM26813 (CHEMBL460824 \| N-[(2E)-5-[benzene(methyl)amido]-1-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay				Bioorg Med Chem Lett 18: 5537-40 (2008) Article DOI: 10.1016/j.bmcl.2008.09.017 BindingDB Entry DOI: 10.7270/Q208655Z
Johnson & Johnson Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM26813 (CHEMBL460824 \| N-[(2E)-5-[benzene(methyl)amido]-1-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of Lyn				Bioorg Med Chem Lett 18: 5537-40 (2008) Article DOI: 10.1016/j.bmcl.2008.09.017 BindingDB Entry DOI: 10.7270/Q208655Z
Johnson & Johnson Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase TEC (Homo sapiens (Human))	BDBM26813 (CHEMBL460824 \| N-[(2E)-5-[benzene(methyl)amido]-1-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of Tec kinase				Bioorg Med Chem Lett 18: 5537-40 (2008) Article DOI: 10.1016/j.bmcl.2008.09.017 BindingDB Entry DOI: 10.7270/Q208655Z
Johnson & Johnson Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase TXK (Homo sapiens (Human))	BDBM26813 (CHEMBL460824 \| N-[(2E)-5-[benzene(methyl)amido]-1-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of TXK				Bioorg Med Chem Lett 18: 5537-40 (2008) Article DOI: 10.1016/j.bmcl.2008.09.017 BindingDB Entry DOI: 10.7270/Q208655Z
Johnson & Johnson Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM26813 (CHEMBL460824 \| N-[(2E)-5-[benzene(methyl)amido]-1-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of ITK (unknown origin) by DELPHIA assay				Bioorg Med Chem Lett 18: 5541-4 (2008) Article DOI: 10.1016/j.bmcl.2008.09.016 BindingDB Entry DOI: 10.7270/Q2ZC82PX
					More data for this Ligand-Target Pair