Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1 [64-515]' and Ligand = 'BDBM213677'   

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))	BDBM213677 (US9278981, 269) Show SMILES O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cncc(c1)C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O4/c24-23(25,26)35-17-3-1-16(2-4-17)30-22(34)15-6-18(14-5-13(7-27)8-28-9-14)21(29-10-15)31-11-19(32)20(33)12-31/h1-6,8-10,19-20,32-33H,11-12H2,(H,30,34)/t19-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.100	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 [64-515] (Homo sapiens (Human))	BDBM213677 (US9278981, 269) Show SMILES O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cncc(c1)C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O4/c24-23(25,26)35-17-3-1-16(2-4-17)30-22(34)15-6-18(14-5-13(7-27)8-28-9-14)21(29-10-15)31-11-19(32)20(33)12-31/h1-6,8-10,19-20,32-33H,11-12H2,(H,30,34)/t19-,20-/m0/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