null

SMILES: O[C@@H]1CCN(C1)c1ncc(cc1-c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=ATWBZFNCHJUFLK-GOSISDBHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 213465   

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 [64-515] (Homo sapiens (Human))	BDBM213465 (US9278981, 57) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C23H20F3N3O3/c24-23(25,26)32-19-8-6-17(7-9-19)28-22(31)16-12-20(15-4-2-1-3-5-15)21(27-13-16)29-11-10-18(30)14-29/h1-9,12-13,18,30H,10-11,14H2,(H,28,31)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213465 (US9278981, 57) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C23H20F3N3O3/c24-23(25,26)32-19-8-6-17(7-9-19)28-22(31)16-12-20(15-4-2-1-3-5-15)21(27-13-16)29-11-10-18(30)14-29/h1-9,12-13,18,30H,10-11,14H2,(H,28,31)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213465 (US9278981, 57) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C23H20F3N3O3/c24-23(25,26)32-19-8-6-17(7-9-19)28-22(31)16-12-20(15-4-2-1-3-5-15)21(27-13-16)29-11-10-18(30)14-29/h1-9,12-13,18,30H,10-11,14H2,(H,28,31)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair