BDBM213655 US9278981, 247

SMILES: FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CCC(F)(F)C3)c(c2)-c2cncnc2)cc1

InChI Key: InChIKey=QYCPMMHFZSTIFJ-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 = 213655   

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))	BDBM213655 (US9278981, 247) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CCC(F)(F)C3)c(c2)-c2cncnc2)cc1 Show InChI InChI=1S/C21H16ClF4N5O2/c22-21(25,26)33-16-3-1-15(2-4-16)30-19(32)13-7-17(14-8-27-12-28-9-14)18(29-10-13)31-6-5-20(23,24)11-31/h1-4,7-10,12H,5-6,11H2,(H,30,32)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.130	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213655 (US9278981, 247) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CCC(F)(F)C3)c(c2)-c2cncnc2)cc1 Show InChI InChI=1S/C21H16ClF4N5O2/c22-21(25,26)33-16-3-1-15(2-4-16)30-19(32)13-7-17(14-8-27-12-28-9-14)18(29-10-13)31-6-5-20(23,24)11-31/h1-4,7-10,12H,5-6,11H2,(H,30,32)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 uL of the compound pre-...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair