BDBM213580 US9278981, 172

SMILES: O[C@@H]1CCN(C1)c1ncc(cc1-c1cccnc1F)C(=O)Nc1ccc(OC(F)(F)Cl)cc1

InChI Key: InChIKey=FUSZMZVBNIEDDM-OAHLLOKOSA-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 = 213580   

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))	BDBM213580 (US9278981, 172) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cccnc1F)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H18ClF3N4O3/c23-22(25,26)33-16-5-3-14(4-6-16)29-21(32)13-10-18(17-2-1-8-27-19(17)24)20(28-11-13)30-9-7-15(31)12-30/h1-6,8,10-11,15,31H,7,9,12H2,(H,29,32)/t15-/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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213580 (US9278981, 172) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cccnc1F)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H18ClF3N4O3/c23-22(25,26)33-16-5-3-14(4-6-16)29-21(32)13-10-18(17-2-1-8-27-19(17)24)20(28-11-13)30-9-7-15(31)12-30/h1-6,8,10-11,15,31H,7,9,12H2,(H,29,32)/t15-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	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