Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1 [64-515]' and Ligand = 'BDBM230813'   

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))	BDBM230813 (US9340537, 67 | US9896444, Example 67) Show SMILES OCC1CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-14(2-4-15)26-19(30)13-7-16(17-5-6-25-27-17)18(24-8-13)28-9-12(10-28)11-29/h1-8,12,29H,9-11H2,(H,25,27)(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	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))	BDBM230813 (US9340537, 67 | US9896444, Example 67) Show SMILES OCC1CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-14(2-4-15)26-19(30)13-7-16(17-5-6-25-27-17)18(24-8-13)28-9-12(10-28)11-29/h1-8,12,29H,9-11H2,(H,25,27)(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	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
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM230813 (US9340537, 67 | US9896444, Example 67) Show SMILES OCC1CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-14(2-4-15)26-19(30)13-7-16(17-5-6-25-27-17)18(24-8-13)28-9-12(10-28)11-29/h1-8,12,29H,9-11H2,(H,25,27)(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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))	BDBM230813 (US9340537, 67 | US9896444, Example 67) Show SMILES OCC1CN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-14(2-4-15)26-19(30)13-7-16(17-5-6-25-27-17)18(24-8-13)28-9-12(10-28)11-29/h1-8,12,29H,9-11H2,(H,25,27)(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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