BDBM196613 US9670214, TABLE 16.62

SMILES: FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cnn(Cc3ccccc3)c2)cc1

InChI Key: InChIKey=RUDZVRRHBGESJG-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 = 196613   

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))	BDBM196613 (US9670214, TABLE 16.62) Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cnn(Cc3ccccc3)c2)cc1 Show InChI InChI=1S/C21H16F3N5O/c22-21(23,24)30-18-8-6-17(7-9-18)28-20-10-19(25-14-26-20)16-11-27-29(13-16)12-15-4-2-1-3-5-15/h1-11,13-14H,12H2,(H,25,26,28)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30E+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))	BDBM196613 (US9670214, TABLE 16.62) Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cnn(Cc3ccccc3)c2)cc1 Show InChI InChI=1S/C21H16F3N5O/c22-21(23,24)30-18-8-6-17(7-9-18)28-20-10-19(25-14-26-20)16-11-27-29(13-16)12-15-4-2-1-3-5-15/h1-11,13-14H,12H2,(H,25,26,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	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