BDBM196574 US9670214, TABLE 16.23

SMILES: COCCCNC(=O)c1ccc(cc1)-c1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1C

InChI Key: InChIKey=JVBYUKONZCNFNZ-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 = 196574   

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
BCR/ABL fusion protein (T351I) (Homo sapiens (Human))	BDBM196574 (US9670214, TABLE 16.23) Show SMILES COCCCNC(=O)c1ccc(cc1)-c1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1C Show InChI InChI=1S/C23H23F3N4O3/c1-15-20(16-4-6-17(7-5-16)22(31)27-12-3-13-32-2)28-14-29-21(15)30-18-8-10-19(11-9-18)33-23(24,25)26/h4-11,14H,3,12-13H2,1-2H3,(H,27,31)(H,28,29,30)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
BCR/ABL fusion protein isoform X3 (Homo sapiens (Human))	BDBM196574 (US9670214, TABLE 16.23) Show SMILES COCCCNC(=O)c1ccc(cc1)-c1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1C Show InChI InChI=1S/C23H23F3N4O3/c1-15-20(16-4-6-17(7-5-16)22(31)27-12-3-13-32-2)28-14-29-21(15)30-18-8-10-19(11-9-18)33-23(24,25)26/h4-11,14H,3,12-13H2,1-2H3,(H,27,31)(H,28,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	290	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair