Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1 [64-515]' and Ligand = 'BDBM213671'   

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))	BDBM213671 (US9278981, 263) Show SMILES Cc1ncncc1-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H20ClF2N5O3/c1-13-19(10-26-12-28-13)18-8-14(9-27-20(18)30-7-6-16(31)11-30)21(32)29-15-2-4-17(5-3-15)33-22(23,24)25/h2-5,8-10,12,16,31H,6-7,11H2,1H3,(H,29,32)/t16-/m1/s1	PDB UniProtKB/SwissProt 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 [64-515] (Homo sapiens (Human))	BDBM213671 (US9278981, 263) Show SMILES Cc1ncncc1-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H20ClF2N5O3/c1-13-19(10-26-12-28-13)18-8-14(9-27-20(18)30-7-6-16(31)11-30)21(32)29-15-2-4-17(5-3-15)33-22(23,24)25/h2-5,8-10,12,16,31H,6-7,11H2,1H3,(H,29,32)/t16-/m1/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