BDBM50155557 1-(4-Diethylamino-phenyl)-3-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-urea::CHEMBL185901

SMILES: CCN(CC)c1ccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1

InChI Key: InChIKey=GVTIVFCBPRVRQC-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 = 50155557   

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))	BDBM50155557 (1-(4-Diethylamino-phenyl)-3-[4-methyl-3-(4-pyridin...) Show SMILES CCN(CC)c1ccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1 Show InChI InChI=1S/C27H29N7O/c1-4-34(5-2)23-12-10-21(11-13-23)30-27(35)31-22-9-8-19(3)25(17-22)33-26-29-16-14-24(32-26)20-7-6-15-28-18-20/h6-18H,4-5H2,1-3H3,(H,29,32,33)(H2,30,31,35)	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	>3.40E+3	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))	BDBM50155557 (1-(4-Diethylamino-phenyl)-3-[4-methyl-3-(4-pyridin...) Show SMILES CCN(CC)c1ccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1 Show InChI InChI=1S/C27H29N7O/c1-4-34(5-2)23-12-10-21(11-13-23)30-27(35)31-22-9-8-19(3)25(17-22)33-26-29-16-14-24(32-26)20-7-6-15-28-18-20/h6-18H,4-5H2,1-3H3,(H,29,32,33)(H2,30,31,35)	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	1.00E+4	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))	BDBM50155557 (1-(4-Diethylamino-phenyl)-3-[4-methyl-3-(4-pyridin...) Show SMILES CCN(CC)c1ccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1 Show InChI InChI=1S/C27H29N7O/c1-4-34(5-2)23-12-10-21(11-13-23)30-27(35)31-22-9-8-19(3)25(17-22)33-26-29-16-14-24(32-26)20-7-6-15-28-18-20/h6-18H,4-5H2,1-3H3,(H,29,32,33)(H2,30,31,35)	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	>1.00E+4	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