Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1 [Y253F]'   

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 [Y253F] (Homo sapiens (Human))	BDBM332698 (US10196378, Compound C01) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C27H29F3N6O3/c1-31-25(37)24-16-22(9-10-32-24)39-21-7-5-19(6-8-21)33-26(38)34-20-4-3-18(23(15-20)27(28,29)30)17-36-13-11-35(2)12-14-36/h3-10,15-16H,11-14,17H2,1-2H3,(H,31,37)(H2,33,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [Y253F] (Homo sapiens (Human))	BDBM332699 (US10196378, Compound C02) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccncc4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C25H26F3N5O2/c1-32-12-14-33(15-13-32)17-18-2-3-20(16-23(18)25(26,27)28)31-24(34)30-19-4-6-21(7-5-19)35-22-8-10-29-11-9-22/h2-11,16H,12-15,17H2,1H3,(H2,30,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [Y253F] (Homo sapiens (Human))	BDBM332700 (US10196378, Compound C03) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ncncc5c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H27F3N6O2/c1-36-10-12-37(13-11-36)17-19-2-3-22(15-25(19)28(29,30)31)35-27(38)34-21-4-6-23(7-5-21)39-24-8-9-26-20(14-24)16-32-18-33-26/h2-9,14-16,18H,10-13,17H2,1H3,(H2,34,35,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [Y253F] (Homo sapiens (Human))	BDBM332702 (US10196378, Compound C05) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ncccc5c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H28F3N5O2/c1-36-13-15-37(16-14-36)19-21-4-5-23(18-26(21)29(30,31)32)35-28(38)34-22-6-8-24(9-7-22)39-25-10-11-27-20(17-25)3-2-12-33-27/h2-12,17-18H,13-16,19H2,1H3,(H2,34,35,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [Y253F] (Homo sapiens (Human))	BDBM332706 (US10196378, Compound C09 | US10196378, Compound C1...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4cccnc4c3)cc2)n(n1)-c1ccc2ncccc2c1 Show InChI InChI=1S/C32H28N6O2/c1-32(2,3)29-20-30(38(37-29)24-11-15-27-22(18-24)7-5-16-33-27)36-31(39)35-23-9-13-25(14-10-23)40-26-12-8-21-6-4-17-34-28(21)19-26/h4-20H,1-3H3,(H2,35,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [Y253F] (Homo sapiens (Human))	BDBM332705 (US10196378, Compound C08) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4ncncc4c3)cc2)n(n1)-c1ccc2ncccc2c1 Show InChI InChI=1S/C31H27N7O2/c1-31(2,3)28-17-29(38(37-28)23-8-12-26-20(15-23)5-4-14-33-26)36-30(39)35-22-6-9-24(10-7-22)40-25-11-13-27-21(16-25)18-32-19-34-27/h4-19H,1-3H3,(H2,35,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [Y253F] (Homo sapiens (Human))	BDBM332703 (US10196378, Compound C06) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5cccnc5c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H28F3N5O2/c1-36-13-15-37(16-14-36)19-21-4-6-23(17-26(21)29(30,31)32)35-28(38)34-22-7-10-24(11-8-22)39-25-9-5-20-3-2-12-33-27(20)18-25/h2-12,17-18H,13-16,19H2,1H3,(H2,34,35,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [Y253F] (Homo sapiens (Human))	BDBM332706 (US10196378, Compound C09 | US10196378, Compound C1...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc4cccnc4c3)cc2)n(n1)-c1ccc2ncccc2c1 Show InChI InChI=1S/C32H28N6O2/c1-32(2,3)29-20-30(38(37-29)24-11-15-27-22(18-24)7-5-16-33-27)36-31(39)35-23-9-13-25(14-10-23)40-26-12-8-21-6-4-17-34-28(21)19-26/h4-20H,1-3H3,(H2,35,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [Y253F] (Homo sapiens (Human))	BDBM332701 (US10196378, Compound C04) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Nc4ccc5ncccc5c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H29F3N6O/c1-37-13-15-38(16-14-37)19-21-4-5-25(18-26(21)29(30,31)32)36-28(39)35-23-8-6-22(7-9-23)34-24-10-11-27-20(17-24)3-2-12-33-27/h2-12,17-18,34H,13-16,19H2,1H3,(H2,35,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [Y253F] (Homo sapiens (Human))	BDBM332704 (US10196378, Compound C07) Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H29F3N4O2/c1-36-14-16-37(17-15-36)20-23-6-8-25(19-28(23)30(31,32)33)35-29(38)34-24-9-12-26(13-10-24)39-27-11-7-21-4-2-3-5-22(21)18-27/h2-13,18-19H,14-17,20H2,1H3,(H2,34,35,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
					More data for this Ligand-Target Pair