BDBM50155567 1-(3-Dimethylamino-phenyl)-3-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-urea::CHEMBL434335

SMILES: CN(C)c1cccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1

InChI Key: InChIKey=UXRUDXZNSIAVNZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50155567   

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 ABL1 (Homo sapiens (Human))	BDBM50155567 (1-(3-Dimethylamino-phenyl)-3-[4-methyl-3-(4-pyridi...) Show SMILES CN(C)c1cccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C25H25N7O/c1-17-9-10-20(29-25(33)28-19-7-4-8-21(14-19)32(2)3)15-23(17)31-24-27-13-11-22(30-24)18-6-5-12-26-16-18/h4-16H,1-3H3,(H,27,30,31)(H2,28,29,33)	PDB MMDB 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	56	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit Abl tyrosine kinase				Bioorg Med Chem Lett 14: 5793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.042 BindingDB Entry DOI: 10.7270/Q2QF8SC3
					More data for this Ligand-Target Pair
Bcr-Abl (Homo sapiens (Human))	BDBM50155567 (1-(3-Dimethylamino-phenyl)-3-[4-methyl-3-(4-pyridi...) Show SMILES CN(C)c1cccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C25H25N7O/c1-17-9-10-20(29-25(33)28-19-7-4-8-21(14-19)32(2)3)15-23(17)31-24-27-13-11-22(30-24)18-6-5-12-26-16-18/h4-16H,1-3H3,(H,27,30,31)(H2,28,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	575	n/a	n/a	n/a	n/a	n/a	n/a
The First People's Hospital of Hangzhou Curated by ChEMBL					Assay Description Inhibition of BCR-ABL kinase (unknown origin)				Bioorg Med Chem Lett 23: 2442-50 (2013) Article DOI: 10.1016/j.bmcl.2013.01.113 BindingDB Entry DOI: 10.7270/Q2ZG6TMD
					More data for this Ligand-Target Pair
Bcr/Abl fusion protein (Homo sapiens (Human))	BDBM50155567 (1-(3-Dimethylamino-phenyl)-3-[4-methyl-3-(4-pyridi...) Show SMILES CN(C)c1cccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C25H25N7O/c1-17-9-10-20(29-25(33)28-19-7-4-8-21(14-19)32(2)3)15-23(17)31-24-27-13-11-22(30-24)18-6-5-12-26-16-18/h4-16H,1-3H3,(H,27,30,31)(H2,28,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	573	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase				Bioorg Med Chem Lett 14: 5793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.042 BindingDB Entry DOI: 10.7270/Q2QF8SC3
					More data for this Ligand-Target Pair