BDBM260154 US9522910, Table 1 Compound 4: 3-{2-[2-methyl-5-({4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}carbamoyl)phenyl]ethynyl}-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

SMILES: CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cc(ccn34)C(N)=O)cc2C(F)(F)F)CC1

InChI Key: InChIKey=LKFAYKJEZVDORL-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 = 260154   

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
ABL Mutant (T315I) (Homo sapiens (Human))	BDBM260154 (US9522910, Table 1 Compound 4: 3-{2-[2-methyl-5-({...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cc(ccn34)C(N)=O)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H28F3N7O2/c1-19-3-4-22(15-20(19)6-8-26-36-37-27-16-21(28(34)41)9-10-40(26)27)29(42)35-24-7-5-23(25(17-24)30(31,32)33)18-39-13-11-38(2)12-14-39/h3-5,7,9-10,15-17H,11-14,18H2,1-2H3,(H2,34,41)(H,35,42)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA” US Patent					Assay Description Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...				US Patent US9522910 (2016) BindingDB Entry DOI: 10.7270/Q2542MHG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM260154 (US9522910, Table 1 Compound 4: 3-{2-[2-methyl-5-({...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cc(ccn34)C(N)=O)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H28F3N7O2/c1-19-3-4-22(15-20(19)6-8-26-36-37-27-16-21(28(34)41)9-10-40(26)27)29(42)35-24-7-5-23(25(17-24)30(31,32)33)18-39-13-11-38(2)12-14-39/h3-5,7,9-10,15-17H,11-14,18H2,1-2H3,(H2,34,41)(H,35,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA” US Patent					Assay Description Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...				US Patent US9522910 (2016) BindingDB Entry DOI: 10.7270/Q2542MHG
					More data for this Ligand-Target Pair