BDBM50322543 3-[2-(Imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide::CHEMBL1171086

SMILES: CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccccn34)cc2C(F)(F)F)CC1

InChI Key: InChIKey=ZRIKPFNXTUUJLL-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 = 50322543   

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))	BDBM50322543 (3-[2-(Imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccccn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H28F3N5O/c1-21-6-7-23(17-22(21)9-11-26-19-34-28-5-3-4-12-38(26)28)29(39)35-25-10-8-24(27(18-25)30(31,32)33)20-37-15-13-36(2)14-16-37/h3-8,10,12,17-19H,13-16,20H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of wild type human ABL after 1 hr by TR-FRET assay				J Med Chem 53: 4701-19 (2010) Article DOI: 10.1021/jm100395q BindingDB Entry DOI: 10.7270/Q27P8ZKX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50322543 (3-[2-(Imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccccn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H28F3N5O/c1-21-6-7-23(17-22(21)9-11-26-19-34-28-5-3-4-12-38(26)28)29(39)35-25-10-8-24(27(18-25)30(31,32)33)20-37-15-13-36(2)14-16-37/h3-8,10,12,17-19H,13-16,20H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of human wild-type Abl after 30 mins by phosphocellulose paper disk assay using 0.1 mM EAIYAAPFAKKK peptide substrate				J Med Chem 58: 9228-37 (2015) Article DOI: 10.1021/acs.jmedchem.5b01125 BindingDB Entry DOI: 10.7270/Q2542RK1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50322543 (3-[2-(Imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ccccn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H28F3N5O/c1-21-6-7-23(17-22(21)9-11-26-19-34-28-5-3-4-12-38(26)28)29(39)35-25-10-8-24(27(18-25)30(31,32)33)20-37-15-13-36(2)14-16-37/h3-8,10,12,17-19H,13-16,20H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of Abl T315I mutant (unknown origin) after 30 mins by phosphocellulose paper disk assay using 0.1 mM EAIYAAPFAKKK peptide substrate				J Med Chem 58: 9228-37 (2015) Article DOI: 10.1021/acs.jmedchem.5b01125 BindingDB Entry DOI: 10.7270/Q2542RK1
					More data for this Ligand-Target Pair