Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1 [64-515]' and Ligand = 'BDBM230772'   

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))	BDBM230772 (US9340537, 26 | US9896444, Example 26) Show SMILES CN(CCO)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(SC(F)(F)F)cc1 Show InChI InChI=1S/C19H18F3N5O2S/c1-27(8-9-28)17-15(16-6-7-24-26-16)10-12(11-23-17)18(29)25-13-2-4-14(5-3-13)30-19(20,21)22/h2-7,10-11,28H,8-9H2,1H3,(H,24,26)(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	30
NOVATIS 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 US9340537 (2016) BindingDB Entry DOI: 10.7270/Q2FB51T5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM230772 (US9340537, 26 | US9896444, Example 26) Show SMILES CN(CCO)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(SC(F)(F)F)cc1 Show InChI InChI=1S/C19H18F3N5O2S/c1-27(8-9-28)17-15(16-6-7-24-26-16)10-12(11-23-17)18(29)25-13-2-4-14(5-3-13)30-19(20,21)22/h2-7,10-11,28H,8-9H2,1H3,(H,24,26)(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL					Assay Description Caliper ABL1 (64-515) Assay: The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were...				J Med Chem 50: 4953-75 (2007) BindingDB Entry DOI: 10.7270/Q2B27XKV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM230772 (US9340537, 26 | US9896444, Example 26) Show SMILES CN(CCO)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(SC(F)(F)F)cc1 Show InChI InChI=1S/C19H18F3N5O2S/c1-27(8-9-28)17-15(16-6-7-24-26-16)10-12(11-23-17)18(29)25-13-2-4-14(5-3-13)30-19(20,21)22/h2-7,10-11,28H,8-9H2,1H3,(H,24,26)(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL					Assay Description Radio ABL1 (64-515) Assay: For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing...				J Med Chem 50: 4953-75 (2007) BindingDB Entry DOI: 10.7270/Q2B27XKV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM230772 (US9340537, 26 | US9896444, Example 26) Show SMILES CN(CCO)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(SC(F)(F)F)cc1 Show InChI InChI=1S/C19H18F3N5O2S/c1-27(8-9-28)17-15(16-6-7-24-26-16)10-12(11-23-17)18(29)25-13-2-4-14(5-3-13)30-19(20,21)22/h2-7,10-11,28H,8-9H2,1H3,(H,24,26)(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	25
NOVATIS AG US Patent					Assay Description The assay was performed by mixing 10 μL of the compound pre-diluted with 10 μL of ATP (20 μM ATP with 0.1 μCi [γ-33P]-ATP) with the...				US Patent US9340537 (2016) BindingDB Entry DOI: 10.7270/Q2FB51T5
					More data for this Ligand-Target Pair