BDBM213707 US9278981, 299

SMILES: COc1ncc(cc1C#N)-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1

InChI Key: InChIKey=HXRAEWKSOHKKDD-GOSISDBHSA-N

Data: 1 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 1 hit for monomerid = 213707   

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))	BDBM213707 (US9278981, 299) Show SMILES COc1ncc(cc1C#N)-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C24H20ClF2N5O4/c1-35-23-14(10-28)8-15(11-30-23)20-9-16(12-29-21(20)32-7-6-18(33)13-32)22(34)31-17-2-4-19(5-3-17)36-24(25,26)27/h2-5,8-9,11-12,18,33H,6-7,13H2,1H3,(H,31,34)/t18-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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