BDBM26382 4-methyl-1-N-[2-methyl-3-(trifluoromethyl)benzene]-3-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)benzene-1,3-dicarboxamide::Aminopyrimidine amide, 19

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4C)C(F)(F)F)ccc3C)cn2)cc1

InChI Key: InChIKey=YNJXLRWECIJSPA-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 26382   

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 Lck (Homo sapiens (Human))	BDBM26382 (4-methyl-1-N-[2-methyl-3-(trifluoromethyl)benzene]...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4C)C(F)(F)F)ccc3C)cn2)cc1 Show InChI InChI=1S/C32H32F3N7O2/c1-20-7-8-23(38-29(43)26-5-4-6-28(21(26)2)32(33,34)35)17-27(20)30(44)39-24-18-36-31(37-19-24)40-22-9-11-25(12-10-22)42-15-13-41(3)14-16-42/h4-12,17-19H,13-16H2,1-3H3,(H,38,43)(H,39,44)(H,36,37,40)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.5	22
Amgen					Assay Description The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...				J Med Chem 51: 1681-94 (2008) Article DOI: 10.1021/jm7010996 BindingDB Entry DOI: 10.7270/Q2Q81BCB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiopoietin-1 receptor (Homo sapiens (Human))	BDBM26382 (4-methyl-1-N-[2-methyl-3-(trifluoromethyl)benzene]...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4C)C(F)(F)F)ccc3C)cn2)cc1 Show InChI InChI=1S/C32H32F3N7O2/c1-20-7-8-23(38-29(43)26-5-4-6-28(21(26)2)32(33,34)35)17-27(20)30(44)39-24-18-36-31(37-19-24)40-22-9-11-25(12-10-22)42-15-13-41(3)14-16-42/h4-12,17-19H,13-16H2,1-3H3,(H,38,43)(H,39,44)(H,36,37,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...				J Med Chem 51: 1681-94 (2008) Article DOI: 10.1021/jm7010996 BindingDB Entry DOI: 10.7270/Q2Q81BCB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM26382 (4-methyl-1-N-[2-methyl-3-(trifluoromethyl)benzene]...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4C)C(F)(F)F)ccc3C)cn2)cc1 Show InChI InChI=1S/C32H32F3N7O2/c1-20-7-8-23(38-29(43)26-5-4-6-28(21(26)2)32(33,34)35)17-27(20)30(44)39-24-18-36-31(37-19-24)40-22-9-11-25(12-10-22)42-15-13-41(3)14-16-42/h4-12,17-19H,13-16H2,1-3H3,(H,38,43)(H,39,44)(H,36,37,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...				J Med Chem 51: 1681-94 (2008) Article DOI: 10.1021/jm7010996 BindingDB Entry DOI: 10.7270/Q2Q81BCB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM26382 (4-methyl-1-N-[2-methyl-3-(trifluoromethyl)benzene]...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4C)C(F)(F)F)ccc3C)cn2)cc1 Show InChI InChI=1S/C32H32F3N7O2/c1-20-7-8-23(38-29(43)26-5-4-6-28(21(26)2)32(33,34)35)17-27(20)30(44)39-24-18-36-31(37-19-24)40-22-9-11-25(12-10-22)42-15-13-41(3)14-16-42/h4-12,17-19H,13-16H2,1-3H3,(H,38,43)(H,39,44)(H,36,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...				J Med Chem 51: 1681-94 (2008) Article DOI: 10.1021/jm7010996 BindingDB Entry DOI: 10.7270/Q2Q81BCB
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26382 (4-methyl-1-N-[2-methyl-3-(trifluoromethyl)benzene]...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4C)C(F)(F)F)ccc3C)cn2)cc1 Show InChI InChI=1S/C32H32F3N7O2/c1-20-7-8-23(38-29(43)26-5-4-6-28(21(26)2)32(33,34)35)17-27(20)30(44)39-24-18-36-31(37-19-24)40-22-9-11-25(12-10-22)42-15-13-41(3)14-16-42/h4-12,17-19H,13-16H2,1-3H3,(H,38,43)(H,39,44)(H,36,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...				J Med Chem 51: 1681-94 (2008) Article DOI: 10.1021/jm7010996 BindingDB Entry DOI: 10.7270/Q2Q81BCB
					More data for this Ligand-Target Pair