BDBM26830 CHEMBL457706::N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-cyanothiophene-2-carboxamide::acylated 2-aminobenzimidazole, 24

SMILES: CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C#N)nc2c1

InChI Key: InChIKey=QAFHWLBRECIPAC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 26830   

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
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM26830 (CHEMBL457706 | N-[(2E)-5-[benzene(methyl)amido]-1-...) Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C#N)nc2c1 Show InChI InChI=1S/C24H20N6O3S/c1-29(23(33)15-5-3-2-4-6-15)16-7-9-19-18(13-16)27-24(30(19)12-11-21(26)31)28-22(32)20-10-8-17(14-25)34-20/h2-10,13H,11-12H2,1H3,(H2,26,31)(H,27,28,32)	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	15	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
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM26830 (CHEMBL457706 | N-[(2E)-5-[benzene(methyl)amido]-1-...) Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C#N)nc2c1 Show InChI InChI=1S/C24H20N6O3S/c1-29(23(33)15-5-3-2-4-6-15)16-7-9-19-18(13-16)27-24(30(19)12-11-21(26)31)28-22(32)20-10-8-17(14-25)34-20/h2-10,13H,11-12H2,1H3,(H2,26,31)(H,27,28,32)	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	8	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
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM26830 (CHEMBL457706 | N-[(2E)-5-[benzene(methyl)amido]-1-...) Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C#N)nc2c1 Show InChI InChI=1S/C24H20N6O3S/c1-29(23(33)15-5-3-2-4-6-15)16-7-9-19-18(13-16)27-24(30(19)12-11-21(26)31)28-22(32)20-10-8-17(14-25)34-20/h2-10,13H,11-12H2,1H3,(H2,26,31)(H,27,28,32)	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
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM26830 (CHEMBL457706 | N-[(2E)-5-[benzene(methyl)amido]-1-...) Show SMILES CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C#N)nc2c1 Show InChI InChI=1S/C24H20N6O3S/c1-29(23(33)15-5-3-2-4-6-15)16-7-9-19-18(13-16)27-24(30(19)12-11-21(26)31)28-22(32)20-10-8-17(14-25)34-20/h2-10,13H,11-12H2,1H3,(H2,26,31)(H,27,28,32)	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	3.80E+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
					More data for this Ligand-Target Pair