BDBM50110429 CHEMBL3605774

SMILES: Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc(NC3CC3)nc2)cc(c1)C(F)(F)F

InChI Key: InChIKey=IZPYRHJDUKTQPR-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 = 50110429   

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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50110429 (CHEMBL3605774) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc(NC3CC3)nc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H23F3N6O/c1-17-3-5-21(9-20(17)6-4-19-13-32-27(33-14-19)36-23-7-8-23)26(38)35-24-10-22(28(29,30)31)11-25(12-24)37-15-18(2)34-16-37/h3,5,9-16,23H,7-8H2,1-2H3,(H,35,38)(H,32,33,36)	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	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl T315I mutant (unknown origin) using Tyr2 peptide substrate after 2 hrs by FRET-based Z'-lyte assay				Bioorg Med Chem Lett 25: 3458-63 (2015) BindingDB Entry DOI: 10.7270/Q2FN180W
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50110429 (CHEMBL3605774) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(c2)C#Cc2cnc(NC3CC3)nc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H23F3N6O/c1-17-3-5-21(9-20(17)6-4-19-13-32-27(33-14-19)36-23-7-8-23)26(38)35-24-10-22(28(29,30)31)11-25(12-24)37-15-18(2)34-16-37/h3,5,9-16,23H,7-8H2,1-2H3,(H,35,38)(H,32,33,36)	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	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of wild type Bcr-Abl (unknown origin) using Tyr2 peptide substrate after 2 hrs by FRET-based Z'-lyte assay				Bioorg Med Chem Lett 25: 3458-63 (2015) BindingDB Entry DOI: 10.7270/Q2FN180W
					More data for this Ligand-Target Pair