Compile Data Set for Download or QSAR

Found 551 hits with Last Name = 'spieser' and Initial = 'ea'   

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))	BDBM213662 (US9278981, 254) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3Cc4cn[nH]c4C3)c(c2)-c2cncnc2)cc1 Show InChI InChI=1S/C22H16ClF2N7O2/c23-22(24,25)34-17-3-1-16(2-4-17)30-21(33)13-5-18(14-6-26-12-27-7-14)20(28-8-13)32-10-15-9-29-31-19(15)11-32/h1-9,12H,10-11H2,(H,29,31)(H,30,33)	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	<0.100	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))	BDBM213659 (US9278981, 251) Show SMILES CN(C)[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H23ClF2N6O3/c1-31(2)19-11-32(12-20(19)33)21-18(15-8-27-13-28-9-15)7-14(10-29-21)22(34)30-16-3-5-17(6-4-16)35-23(24,25)26/h3-10,13,19-20,33H,11-12H2,1-2H3,(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))	BDBM213682 (US9278981, 274) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cnccc1C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c24-23(25,26)34-18-3-1-16(2-4-18)30-22(33)15-9-19(20-12-28-7-5-14(20)10-27)21(29-11-15)31-8-6-17(32)13-31/h1-5,7,9,11-12,17,32H,6,8,13H2,(H,30,33)/t17-/m1/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))	BDBM213656 (US9278981, 248) Show SMILES O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C21H18ClF2N5O4/c22-21(23,24)33-15-3-1-14(2-4-15)28-20(32)12-5-16(13-6-25-11-26-7-13)19(27-8-12)29-9-17(30)18(31)10-29/h1-8,11,17-18,30-31H,9-10H2,(H,28,32)/t17-,18-/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
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM213655 (US9278981, 247) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CCC(F)(F)C3)c(c2)-c2cncnc2)cc1 Show InChI InChI=1S/C21H16ClF4N5O2/c22-21(25,26)33-16-3-1-15(2-4-16)30-19(32)13-7-17(14-8-27-12-28-9-14)18(29-10-13)31-6-5-20(23,24)11-31/h1-4,7-10,12H,5-6,11H2,(H,30,32)	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))	BDBM213613 (US9278981, 205) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(SC(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C21H17F4N5O2S/c22-17-6-14(1-2-18(17)33-21(23,24)25)29-20(32)12-5-16(13-7-26-11-27-8-13)19(28-9-12)30-4-3-15(31)10-30/h1-2,5-9,11,15,31H,3-4,10H2,(H,29,32)/t15-/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))	BDBM213603 (US9278981, 195) Show SMILES CCN(CCO)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(SC(F)(F)F)cc1 Show InChI InChI=1S/C21H20F3N5O2S/c1-2-29(7-8-30)19-18(15-10-25-13-26-11-15)9-14(12-27-19)20(31)28-16-3-5-17(6-4-16)32-21(22,23)24/h3-6,9-13,30H,2,7-8H2,1H3,(H,28,31)	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))	BDBM213581 (US9278981, 173) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(c1)C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c24-23(25,26)34-19-3-1-17(2-4-19)30-22(33)16-8-20(15-7-14(9-27)10-28-11-15)21(29-12-16)31-6-5-18(32)13-31/h1-4,7-8,10-12,18,32H,5-6,13H2,(H,30,33)/t18-/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))	BDBM213579 (US9278981, 171) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H18ClF3N4O3/c23-22(25,26)33-18-3-1-16(2-4-18)29-21(32)14-8-19(13-7-15(24)11-27-9-13)20(28-10-14)30-6-5-17(31)12-30/h1-4,7-11,17,31H,5-6,12H2,(H,29,32)/t17-/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))	BDBM213578 (US9278981, 170) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C21H18ClF2N5O3/c22-21(23,24)32-17-3-1-15(2-4-17)28-20(31)13-7-18(14-8-25-12-26-9-14)19(27-10-13)29-6-5-16(30)11-29/h1-4,7-10,12,16,30H,5-6,11H2,(H,28,31)/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))	BDBM213559 (US9278981, 151) Show SMILES CN(CCO)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H18F3N5O3/c1-28(6-7-29)18-17(14-9-24-12-25-10-14)8-13(11-26-18)19(30)27-15-2-4-16(5-3-15)31-20(21,22)23/h2-5,8-12,29H,6-7H2,1H3,(H,27,30)	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))	BDBM213496 (US9278981, 88) Show SMILES OC[C@H]1CCN(C1)c1ncc(cc1-c1ccc(Cl)nc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C23H20ClF3N4O3/c24-20-6-1-15(10-28-20)19-9-16(11-29-21(19)31-8-7-14(12-31)13-32)22(33)30-17-2-4-18(5-3-17)34-23(25,26)27/h1-6,9-11,14,32H,7-8,12-13H2,(H,30,33)/t14-/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
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
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM213673 (US9278981, 265) Show SMILES O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H18ClF3N4O4/c23-22(25,26)34-16-3-1-15(2-4-16)29-21(33)13-6-17(12-5-14(24)9-27-7-12)20(28-8-13)30-10-18(31)19(32)11-30/h1-9,18-19,31-32H,10-11H2,(H,29,33)/t18-,19-/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
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))	BDBM213667 (US9278981, 259) Show SMILES NC1CN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C20H17ClF2N6O2/c21-20(22,23)31-16-3-1-15(2-4-16)28-19(30)12-5-17(13-6-25-11-26-7-13)18(27-8-12)29-9-14(24)10-29/h1-8,11,14H,9-10,24H2,(H,28,30)	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))	BDBM213595 (US9278981, 187) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(SC(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H18F4N4O2S/c23-15-7-13(9-27-11-15)19-8-14(10-28-20(19)30-6-5-17(31)12-30)21(32)29-16-1-3-18(4-2-16)33-22(24,25)26/h1-4,7-11,17,31H,5-6,12H2,(H,29,32)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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))	BDBM213589 (US9278981, 181) Show SMILES CN(CCO)c1ncc(cc1-c1cncc(c1)C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C22H18ClF2N5O3/c1-30(6-7-31)20-19(15-8-14(10-26)11-27-12-15)9-16(13-28-20)21(32)29-17-2-4-18(5-3-17)33-22(23,24)25/h2-5,8-9,11-13,31H,6-7H2,1H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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))	BDBM213583 (US9278981, 175) Show SMILES OC[C@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H20ClF3N4O3/c24-23(26,27)34-19-3-1-18(2-4-19)30-22(33)16-8-20(15-7-17(25)11-28-9-15)21(29-10-16)31-6-5-14(12-31)13-32/h1-4,7-11,14,32H,5-6,12-13H2,(H,30,33)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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))	BDBM213596 (US9278981, 188) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(c1)C#N)C(=O)Nc1ccc(SC(F)(F)F)cc1 |r| Show InChI InChI=1S/C23H18F3N5O2S/c24-23(25,26)34-19-3-1-17(2-4-19)30-22(33)16-8-20(15-7-14(9-27)10-28-11-15)21(29-12-16)31-6-5-18(32)13-31/h1-4,7-8,10-12,18,32H,5-6,13H2,(H,30,33)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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))	BDBM213593 (US9278981, 185) Show SMILES O[C@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(SC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H18F3N5O2S/c22-21(23,24)32-17-3-1-15(2-4-17)28-20(31)13-7-18(14-8-25-12-26-9-14)19(27-10-13)29-6-5-16(30)11-29/h1-4,7-10,12,16,30H,5-6,11H2,(H,28,31)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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))	BDBM213594 (US9278981, 186) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(SC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H18F3N5O2S/c22-21(23,24)32-17-3-1-15(2-4-17)28-20(31)13-7-18(14-8-25-12-26-9-14)19(27-10-13)29-6-5-16(30)11-29/h1-4,7-10,12,16,30H,5-6,11H2,(H,28,31)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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))	BDBM213699 (US9278981, 291) Show SMILES Cc1ccncc1-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H21ClF2N4O3/c1-14-6-8-27-12-20(14)19-10-15(11-28-21(19)30-9-7-17(31)13-30)22(32)29-16-2-4-18(5-3-16)33-23(24,25)26/h2-6,8,10-12,17,31H,7,9,13H2,1H3,(H,29,32)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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))	BDBM213448 (US9278981, 40) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccccn1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H19F3N4O3/c23-22(24,25)32-17-6-4-15(5-7-17)28-21(31)14-11-18(19-3-1-2-9-26-19)20(27-12-14)29-10-8-16(30)13-29/h1-7,9,11-12,16,30H,8,10,13H2,(H,28,31)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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))	BDBM213631 (US9278981, 223) Show SMILES N[C@@]1(CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F |r| Show InChI InChI=1S/C22H18F6N6O2/c23-21(24,25)20(29)5-6-34(11-20)18-17(14-8-30-12-31-9-14)7-13(10-32-18)19(35)33-15-1-3-16(4-2-15)36-22(26,27)28/h1-4,7-10,12H,5-6,11,29H2,(H,33,35)/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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))	BDBM213486 (US9278981, 78) Show SMILES OC[C@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H20F3N5O3/c23-22(24,25)33-18-3-1-17(2-4-18)29-21(32)15-7-19(16-8-26-13-27-9-16)20(28-10-15)30-6-5-14(11-30)12-31/h1-4,7-10,13-14,31H,5-6,11-12H2,(H,29,32)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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))	BDBM213516 (US9278981, 108) Show SMILES NC[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H21F3N6O2/c23-22(24,25)33-18-3-1-17(2-4-18)30-21(32)15-7-19(16-9-27-13-28-10-16)20(29-11-15)31-6-5-14(8-26)12-31/h1-4,7,9-11,13-14H,5-6,8,12,26H2,(H,30,32)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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))	BDBM213688 (US9278981, 280) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cnccc1F)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H18ClF3N4O3/c23-22(25,26)33-16-3-1-14(2-4-16)29-21(32)13-9-17(18-11-27-7-5-19(18)24)20(28-10-13)30-8-6-15(31)12-30/h1-5,7,9-11,15,31H,6,8,12H2,(H,29,32)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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))	BDBM213497 (US9278981, 89) Show SMILES OC[C@H]1CCN(C1)c1ncc(cc1-c1cnc(Cl)c(F)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C23H19ClF4N4O3/c24-20-19(25)8-14(9-29-20)18-7-15(10-30-21(18)32-6-5-13(11-32)12-33)22(34)31-16-1-3-17(4-2-16)35-23(26,27)28/h1-4,7-10,13,33H,5-6,11-12H2,(H,31,34)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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))	BDBM213580 (US9278981, 172) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cccnc1F)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H18ClF3N4O3/c23-22(25,26)33-16-5-3-14(4-6-16)29-21(32)13-10-18(17-2-1-8-27-19(17)24)20(28-11-13)30-9-7-15(31)12-30/h1-6,8,10-11,15,31H,7,9,12H2,(H,29,32)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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))	BDBM213707 (US9278981, 299) Show SMILES COc1ncc(cc1C#N)-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C24H20ClF2N5O4/c1-35-23-14(10-28)8-15(11-30-23)20-9-16(12-29-21(20)32-7-6-18(33)13-32)22(34)31-17-2-4-19(5-3-17)36-24(25,26)27/h2-5,8-9,11-12,18,33H,6-7,13H2,1H3,(H,31,34)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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))	BDBM213585 (US9278981, 177) Show SMILES NC[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H21ClF2N6O2/c23-22(24,25)33-18-3-1-17(2-4-18)30-21(32)15-7-19(16-9-27-13-28-10-16)20(29-11-15)31-6-5-14(8-26)12-31/h1-4,7,9-11,13-14H,5-6,8,12,26H2,(H,30,32)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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))	BDBM213676 (US9278981, 268) 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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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))	BDBM213586 (US9278981, 178) Show SMILES CC(=O)NC[C@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C24H23ClF2N6O3/c1-15(34)30-9-16-6-7-33(13-16)22-21(18-10-28-14-29-11-18)8-17(12-31-22)23(35)32-19-2-4-20(5-3-19)36-24(25,26)27/h2-5,8,10-12,14,16H,6-7,9,13H2,1H3,(H,30,34)(H,32,35)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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))	BDBM213682 (US9278981, 274) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cnccc1C#N)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c24-23(25,26)34-18-3-1-16(2-4-18)30-22(33)15-9-19(20-12-28-7-5-14(20)10-27)21(29-11-15)31-8-6-17(32)13-31/h1-5,7,9,11-12,17,32H,6,8,13H2,(H,30,33)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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))	BDBM213548 (US9278981, 140) Show SMILES Cc1ncc(cc1F)-c1cc(cnc1N1CC(CO)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H20F4N4O3/c1-13-20(24)7-15(8-28-13)19-6-16(9-29-21(19)31-10-14(11-31)12-32)22(33)30-17-2-4-18(5-3-17)34-23(25,26)27/h2-9,14,32H,10-12H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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))	BDBM213588 (US9278981, 180) Show SMILES CN(CCO)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C21H18ClF3N4O3/c1-29(6-7-30)19-18(13-8-15(23)12-26-10-13)9-14(11-27-19)20(31)28-16-2-4-17(5-3-16)32-21(22,24)25/h2-5,8-12,30H,6-7H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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))	BDBM213478 (US9278981, 70) Show SMILES O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cccnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H19F3N4O4/c23-22(24,25)33-16-5-3-15(4-6-16)28-21(32)14-8-17(13-2-1-7-26-9-13)20(27-10-14)29-11-18(30)19(31)12-29/h1-10,18-19,30-31H,11-12H2,(H,28,32)/t18-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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))	BDBM213474 (US9278981, 66) Show SMILES C[C@@]1(O)CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H20F3N5O3/c1-21(32)6-7-30(12-21)19-18(15-9-26-13-27-10-15)8-14(11-28-19)20(31)29-16-2-4-17(5-3-16)33-22(23,24)25/h2-5,8-11,13,32H,6-7,12H2,1H3,(H,29,31)/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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))	BDBM213461 (US9278981, 53) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cnc(Cl)c(F)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H17ClF4N4O3/c23-19-18(24)8-12(9-28-19)17-7-13(10-29-20(17)31-6-5-15(32)11-31)21(33)30-14-1-3-16(4-2-14)34-22(25,26)27/h1-4,7-10,15,32H,5-6,11H2,(H,30,33)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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))	BDBM213601 (US9278981, 193) Show SMILES CN(CCO)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(SC(F)(F)F)cc1 Show InChI InChI=1S/C21H18F4N4O2S/c1-29(6-7-30)19-18(13-8-15(22)12-26-10-13)9-14(11-27-19)20(31)28-16-2-4-17(5-3-16)32-21(23,24)25/h2-5,8-12,30H,6-7H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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))	BDBM213606 (US9278981, 198) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C21H17F4N5O3/c22-17-6-14(1-2-18(17)33-21(23,24)25)29-20(32)12-5-16(13-7-26-11-27-8-13)19(28-9-12)30-4-3-15(31)10-30/h1-2,5-9,11,15,31H,3-4,10H2,(H,29,32)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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))	BDBM213625 (US9278981, 217) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(SC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C21H18ClF2N5O2S/c22-21(23,24)32-17-3-1-15(2-4-17)28-20(31)13-7-18(14-8-25-12-26-9-14)19(27-10-13)29-6-5-16(30)11-29/h1-4,7-10,12,16,30H,5-6,11H2,(H,28,31)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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))	BDBM213664 (US9278981, 256) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(N3CCNC4(CC4)C3)c(c2)-c2cncnc2)cc1 Show InChI InChI=1S/C23H21ClF2N6O2/c24-23(25,26)34-18-3-1-17(2-4-18)31-21(33)15-9-19(16-10-27-14-28-11-16)20(29-12-15)32-8-7-30-22(13-32)5-6-22/h1-4,9-12,14,30H,5-8,13H2,(H,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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))	BDBM213525 (US9278981, 117) Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccc(N3CCOC3=O)c(c2)-c2cncnc2)cc1 Show InChI InChI=1S/C21H15F3N4O4/c22-21(23,24)32-16-4-2-15(3-5-16)27-19(29)13-1-6-18(28-7-8-31-20(28)30)17(9-13)14-10-25-12-26-11-14/h1-6,9-12H,7-8H2,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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))	BDBM213598 (US9278981, 190) Show SMILES OC[C@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(SC(F)(F)F)cc1 |r| Show InChI InChI=1S/C23H20F4N4O2S/c24-17-7-15(9-28-11-17)20-8-16(10-29-21(20)31-6-5-14(12-31)13-32)22(33)30-18-1-3-19(4-2-18)34-23(25,26)27/h1-4,7-11,14,32H,5-6,12-13H2,(H,30,33)/t14-/m0/s1	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	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))	BDBM213614 (US9278981, 206) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(SC(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C22H17F5N4O2S/c23-14-5-12(8-28-10-14)17-6-13(9-29-20(17)31-4-3-16(32)11-31)21(33)30-15-1-2-19(18(24)7-15)34-22(25,26)27/h1-2,5-10,16,32H,3-4,11H2,(H,30,33)/t16-/m1/s1	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	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))	BDBM213617 (US9278981, 209) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(cc1)C(F)(F)C(F)(F)F |r| Show InChI InChI=1S/C23H18F6N4O2/c24-16-7-13(9-30-11-16)19-8-14(10-31-20(19)33-6-5-18(34)12-33)21(35)32-17-3-1-15(2-4-17)22(25,26)23(27,28)29/h1-4,7-11,18,34H,5-6,12H2,(H,32,35)/t18-/m1/s1	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	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))	BDBM213651 (US9278981, 243) Show SMILES O[C@@H]1CCN(C1)c1ccc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H19ClF2N4O3/c23-22(24,25)32-18-4-2-16(3-5-18)28-21(31)14-1-6-20(29-8-7-17(30)12-29)19(9-14)15-10-26-13-27-11-15/h1-6,9-11,13,17,30H,7-8,12H2,(H,28,31)/t17-/m1/s1	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	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

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