Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1 [64-515]' and Ligand = 'BDBM213478'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM213478 (US9278981, 70) Show SMILES O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cccnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H19F3N4O4/c23-22(24,25)33-16-5-3-15(4-6-16)28-21(32)14-8-17(13-2-1-7-26-9-13)20(27-10-14)29-11-18(30)19(31)12-29/h1-10,18-19,30-31H,11-12H2,(H,28,32)/t18-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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 [64-515] (Homo sapiens (Human))	BDBM213478 (US9278981, 70) Show SMILES O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cccnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H19F3N4O4/c23-22(24,25)33-16-5-3-15(4-6-16)28-21(32)14-8-17(13-2-1-7-26-9-13)20(27-10-14)29-11-18(30)19(31)12-29/h1-10,18-19,30-31H,11-12H2,(H,28,32)/t18-,19-/m0/s1	PDB UniProtKB/SwissProt 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