BDBM26884 2-aminobenzimidazole with trans-stilbene, 9e::methyl (2E)-3-(5-{[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]carbamoyl}thiophen-2-yl)but-2-enoate

SMILES: COC(=O)C=C(C)c1ccc(s1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1

InChI Key: InChIKey=USQZWDHUDUNEHI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 26884   

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))	BDBM26884 (2-aminobenzimidazole with trans-stilbene, 9e | met...) Show SMILES COC(=O)C=C(C)c1ccc(s1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1 |w:4.3| Show InChI InChI=1S/C28H27N5O5S/c1-17(15-25(35)38-3)22-11-12-23(39-22)26(36)31-28-30-20-16-19(9-10-21(20)33(28)14-13-24(29)34)32(2)27(37)18-7-5-4-6-8-18/h4-12,15-16H,13-14H2,1-3H3,(H2,29,34)(H,30,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	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 18: 6218-21 (2008) Article DOI: 10.1016/j.bmcl.2008.09.098 BindingDB Entry DOI: 10.7270/Q23B5XFW
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM26884 (2-aminobenzimidazole with trans-stilbene, 9e | met...) Show SMILES COC(=O)C=C(C)c1ccc(s1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1 |w:4.3| Show InChI InChI=1S/C28H27N5O5S/c1-17(15-25(35)38-3)22-11-12-23(39-22)26(36)31-28-30-20-16-19(9-10-21(20)33(28)14-13-24(29)34)32(2)27(37)18-7-5-4-6-8-18/h4-12,15-16H,13-14H2,1-3H3,(H2,29,34)(H,30,31,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+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 18: 6218-21 (2008) Article DOI: 10.1016/j.bmcl.2008.09.098 BindingDB Entry DOI: 10.7270/Q23B5XFW
					More data for this Ligand-Target Pair