Compile Data Set for Download or QSAR

Found 2231 hits with Last Name = 'kirschberg' and Initial = 't'   

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))	BDBM477669 (N-(4-(chlorodifluoromethoxy)phenyl)-7-(1H-imidazol...) Show SMILES CC(C)n1cnc2cc(cc(Br)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C18H15BrClF2N3O2/c1-10(2)25-9-23-15-8-11(7-14(19)16(15)25)17(26)24-12-3-5-13(6-4-12)27-18(20,21)22/h3-10H,1-2H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 11 (N-(4-(chlorodifluoromethoxy)phenyl)-7-(1H-imidazol...) Show SMILES CC(C)n1cnc2cc(cc(Br)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C18H15BrClF2N3O2/c1-10(2)25-9-23-15-8-11(7-14(19)16(15)25)17(26)24-12-3-5-13(6-4-12)27-18(20,21)22/h3-10H,1-2H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 114 (US10889571, Example 114) Show SMILES CC(C)n1c(nc2cc(cc(-c3cncnc3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)C1CCOCC1 Show InChI InChI=1S/C27H26ClF2N5O3/c1-16(2)35-24-22(19-13-31-15-32-14-19)11-18(12-23(24)34-25(35)17-7-9-37-10-8-17)26(36)33-20-3-5-21(6-4-20)38-27(28,29)30/h3-6,11-17H,7-10H2,1-2H3,(H,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477781 (US10889571, Example 126) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4cncnc4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c1-13-10-33-11-20-30-19-7-14(6-18(21(19)31(13)20)15-8-27-12-28-9-15)22(32)29-16-2-4-17(5-3-16)34-23(24,25)26/h2-9,12-13H,10-11H2,1H3,(H,29,32)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477770 (US10889571, Example 114) Show SMILES CC(C)n1c(nc2cc(cc(-c3cncnc3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)C1CCOCC1 Show InChI InChI=1S/C27H26ClF2N5O3/c1-16(2)35-24-22(19-13-31-15-32-14-19)11-18(12-23(24)34-25(35)17-7-9-37-10-8-17)26(36)33-20-3-5-21(6-4-20)38-27(28,29)30/h3-6,11-17H,7-10H2,1-2H3,(H,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 126 (US10889571, Example 126) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4cncnc4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c1-13-10-33-11-20-30-19-7-14(6-18(21(19)31(13)20)15-8-27-12-28-9-15)22(32)29-16-2-4-17(5-3-16)34-23(24,25)26/h2-9,12-13H,10-11H2,1H3,(H,29,32)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 223 (US10889571, Example 223) Show SMILES COc1nc2cc(cc(-c3ccn[nH]3)c2n1[C@H](C)CO)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477710 (US10889571, Example 51) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cc(-c3cncnc3)c3n(cnc3c2)C2CC2)cc1 Show InChI InChI=1S/C22H16ClF2N5O2/c23-22(24,25)32-17-5-1-15(2-6-17)29-21(31)13-7-18(14-9-26-11-27-10-14)20-19(8-13)28-12-30(20)16-3-4-16/h1-2,5-12,16H,3-4H2,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477875 (US10889571, Example 223) Show SMILES COc1nc2cc(cc(-c3ccn[nH]3)c2n1[C@H](C)CO)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 51 (US10889571, Example 51) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cc(-c3cncnc3)c3n(cnc3c2)C2CC2)cc1 Show InChI InChI=1S/C22H16ClF2N5O2/c23-22(24,25)32-17-5-1-15(2-6-17)29-21(31)13-7-18(14-9-26-11-27-10-14)20-19(8-13)28-12-30(20)16-3-4-16/h1-2,5-12,16H,3-4H2,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 4 (N-(4-(chlorodifluoromethoxy)phenyl)-1,2-dimethyl-4...) Show SMILES Cc1nc2c(cc(cc2n1C)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)-c1cncnc1 Show InChI InChI=1S/C21H16ClF2N5O2/c1-12-27-19-17(14-9-25-11-26-10-14)7-13(8-18(19)29(12)2)20(30)28-15-3-5-16(6-4-15)31-21(22,23)24/h3-11H,1-2H3,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477709 (US10889571, Example 50) Show SMILES CC(C)n1cnc2cc(cc(-c3cncnc3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C22H18ClF2N5O2/c1-13(2)30-12-28-19-8-14(7-18(20(19)30)15-9-26-11-27-10-15)21(31)29-16-3-5-17(6-4-16)32-22(23,24)25/h3-13H,1-2H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477663 (N-(4-(chlorodifluoromethoxy)phenyl)-1,2-dimethyl-4...) Show SMILES Cc1nc2c(cc(cc2n1C)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)-c1cncnc1 Show InChI InChI=1S/C21H16ClF2N5O2/c1-12-27-19-17(14-9-25-11-26-10-14)7-13(8-18(19)29(12)2)20(30)28-15-3-5-16(6-4-15)31-21(22,23)24/h3-11H,1-2H3,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 50 (US10889571, Example 50) Show SMILES CC(C)n1cnc2cc(cc(-c3cncnc3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C22H18ClF2N5O2/c1-13(2)30-12-28-19-8-14(7-18(20(19)30)15-9-26-11-27-10-15)21(31)29-16-3-5-17(6-4-16)32-22(23,24)25/h3-13H,1-2H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 153 (US10889571, Example 153) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4cncc(c4)C#N)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C25H18ClF2N5O3/c1-14-12-35-13-22-32-21-8-16(24(34)31-18-2-4-19(5-3-18)36-25(26,27)28)7-20(23(21)33(14)22)17-6-15(9-29)10-30-11-17/h2-8,10-11,14H,12-13H2,1H3,(H,31,34)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 159 (US10889571, Example 159) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4cncs4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H17ClF2N4O3S/c1-12-9-31-10-19-28-17-7-13(6-16(20(17)29(12)19)18-8-26-11-33-18)21(30)27-14-2-4-15(5-3-14)32-22(23,24)25/h2-8,11-12H,9-10H2,1H3,(H,27,30)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477807 (US10889571, Example 153) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4cncc(c4)C#N)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C25H18ClF2N5O3/c1-14-12-35-13-22-32-21-8-16(24(34)31-18-2-4-19(5-3-18)36-25(26,27)28)7-20(23(21)33(14)22)17-6-15(9-29)10-30-11-17/h2-8,10-11,14H,12-13H2,1H3,(H,31,34)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477813 (US10889571, Example 159) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4cncs4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H17ClF2N4O3S/c1-12-9-31-10-19-28-17-7-13(6-16(20(17)29(12)19)18-8-26-11-33-18)21(30)27-14-2-4-15(5-3-14)32-22(23,24)25/h2-8,11-12H,9-10H2,1H3,(H,27,30)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477873 (US10889571, Example 221) Show SMILES COc1nc2cc(cc(-c3cncnc3)c2n1[C@H](C)CO)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H20ClF2N5O4/c1-13(11-32)31-20-18(15-9-27-12-28-10-15)7-14(8-19(20)30-22(31)34-2)21(33)29-16-3-5-17(6-4-16)35-23(24,25)26/h3-10,12-13,32H,11H2,1-2H3,(H,29,33)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 221 (US10889571, Example 221) Show SMILES COc1nc2cc(cc(-c3cncnc3)c2n1[C@H](C)CO)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H20ClF2N5O4/c1-13(11-32)31-20-18(15-9-27-12-28-10-15)7-14(8-19(20)30-22(31)34-2)21(33)29-16-3-5-17(6-4-16)35-23(24,25)26/h3-10,12-13,32H,11H2,1-2H3,(H,29,33)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477762 (US10889571, Example 106) Show SMILES C[C@H](C(F)F)n1cnc2cc(cc(-c3ccn[nH]3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 106 (US10889571, Example 106) Show SMILES C[C@H](C(F)F)n1cnc2cc(cc(-c3ccn[nH]3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 112 (US10889571, Example 112) Show SMILES Cc1nc2cc(cc(-c3cncnc3)c2n1C1CC1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C23H18ClF2N5O2/c1-13-29-20-9-14(22(32)30-16-2-6-18(7-3-16)33-23(24,25)26)8-19(15-10-27-12-28-11-15)21(20)31(13)17-4-5-17/h2-3,6-12,17H,4-5H2,1H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477796 (US10889571, Example 142) Show SMILES C[C@@H]1CCOc2nc3cc(cc(-c4cncnc4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c1-13-6-7-33-22-30-19-9-14(8-18(20(19)31(13)22)15-10-27-12-28-11-15)21(32)29-16-2-4-17(5-3-16)34-23(24,25)26/h2-5,8-13H,6-7H2,1H3,(H,29,32)/t13-/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	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477768 (US10889571, Example 112) Show SMILES Cc1nc2cc(cc(-c3cncnc3)c2n1C1CC1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C23H18ClF2N5O2/c1-13-29-20-9-14(22(32)30-16-2-6-18(7-3-16)33-23(24,25)26)8-19(15-10-27-12-28-11-15)21(20)31(13)17-4-5-17/h2-3,6-12,17H,4-5H2,1H3,(H,30,32)	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	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 142 (US10889571, Example 142) Show SMILES C[C@@H]1CCOc2nc3cc(cc(-c4cncnc4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c1-13-6-7-33-22-30-19-9-14(8-18(20(19)31(13)22)15-10-27-12-28-11-15)21(32)29-16-2-4-17(5-3-16)34-23(24,25)26/h2-5,8-13H,6-7H2,1H3,(H,29,32)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 185 (US10889571, Example 185) Show SMILES C[C@@H]1CCOc2nc3cc(cc(-c4cccnn4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c1-13-8-10-33-22-29-19-12-14(11-17(20(19)31(13)22)18-3-2-9-27-30-18)21(32)28-15-4-6-16(7-5-15)34-23(24,25)26/h2-7,9,11-13H,8,10H2,1H3,(H,28,32)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 80 (US10889571, Example 80) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cc(-c3ccn[nH]3)c3n(cnc3c2)C2CC2)cc1 Show InChI InChI=1S/C21H16ClF2N5O2/c22-21(23,24)31-15-5-1-13(2-6-15)27-20(30)12-9-16(17-7-8-26-28-17)19-18(10-12)25-11-29(19)14-3-4-14/h1-2,5-11,14H,3-4H2,(H,26,28)(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 133 (US10889571, Example 133) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4ccn[nH]4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477736 (US10889571, Example 80) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cc(-c3ccn[nH]3)c3n(cnc3c2)C2CC2)cc1 Show InChI InChI=1S/C21H16ClF2N5O2/c22-21(23,24)31-15-5-1-13(2-6-15)27-20(30)12-9-16(17-7-8-26-28-17)19-18(10-12)25-11-29(19)14-3-4-14/h1-2,5-11,14H,3-4H2,(H,26,28)(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477837 (US10889571, Example 185) Show SMILES C[C@@H]1CCOc2nc3cc(cc(-c4cccnn4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c1-13-8-10-33-22-29-19-12-14(11-17(20(19)31(13)22)18-3-2-9-27-30-18)21(32)28-15-4-6-16(7-5-15)34-23(24,25)26/h2-7,9,11-13H,8,10H2,1H3,(H,28,32)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477788 (US10889571, Example 133) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4ccn[nH]4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477681 (US10889571, Example 22) Show SMILES CC(C)n1cnc2cc(cc(-c3cscn3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C21H17ClF2N4O2S/c1-12(2)28-10-25-17-8-13(7-16(19(17)28)18-9-31-11-26-18)20(29)27-14-3-5-15(6-4-14)30-21(22,23)24/h3-12H,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 22 (US10889571, Example 22) Show SMILES CC(C)n1cnc2cc(cc(-c3cscn3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C21H17ClF2N4O2S/c1-12(2)28-10-25-17-8-13(7-16(19(17)28)18-9-31-11-26-18)20(29)27-14-3-5-15(6-4-14)30-21(22,23)24/h3-12H,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 90 (US10889571, Example 90) Show SMILES C[C@H](CO)n1cnc2cc(cc(-c3ccn[nH]3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 35 ((S)—N-(4-(chlorodifluoromethoxy)phenyl)-4-(fl...) Show SMILES FC[C@@H]1COCc2nc3cc(cc(Br)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C19H14BrClF3N3O3/c20-14-5-10(6-15-17(14)27-12(7-22)8-29-9-16(27)26-15)18(28)25-11-1-3-13(4-2-11)30-19(21,23)24/h1-6,12H,7-9H2,(H,25,28)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477730 (US10889571, Example 74) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cc(-c3cncnc3)c3n(cnc3c2)[C@@H]2CCOC2)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c24-23(25,26)34-18-3-1-16(2-4-18)30-22(32)14-7-19(15-9-27-12-28-10-15)21-20(8-14)29-13-31(21)17-5-6-33-11-17/h1-4,7-10,12-13,17H,5-6,11H2,(H,30,32)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477746 (US10889571, Example 90) Show SMILES C[C@H](CO)n1cnc2cc(cc(-c3ccn[nH]3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477694 ((S)—N-(4-(chlorodifluoromethoxy)phenyl)-4-(fl...) Show SMILES FC[C@@H]1COCc2nc3cc(cc(Br)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C19H14BrClF3N3O3/c20-14-5-10(6-15-17(14)27-12(7-22)8-29-9-16(27)26-15)18(28)25-11-1-3-13(4-2-11)30-19(21,23)24/h1-6,12H,7-9H2,(H,25,28)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 74 (US10889571, Example 74) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cc(-c3cncnc3)c3n(cnc3c2)[C@@H]2CCOC2)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O3/c24-23(25,26)34-18-3-1-16(2-4-18)30-22(32)14-7-19(15-9-27-12-28-10-15)21-20(8-14)29-13-31(21)17-5-6-33-11-17/h1-4,7-10,12-13,17H,5-6,11H2,(H,30,32)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 168 (US10889571, Example 168) Show SMILES OC[C@@H]1COCc2nc3cc(cc(-c4cncnc4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O4/c24-23(25,26)35-17-3-1-15(2-4-17)29-22(33)13-5-18(14-7-27-12-28-8-14)21-19(6-13)30-20-11-34-10-16(9-32)31(20)21/h1-8,12,16,32H,9-11H2,(H,29,33)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 187 (US10889571, Example 187) Show SMILES CCn1c(nc2cc(cc(-c3ccn[nH]3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)[C@H](C)O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 95 (US10889571, Example 95) Show SMILES C[C@@H](CO)n1cnc2cc(cc(-c3ccn[nH]3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 146 (US10889571, Example 146) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4cnn[nH]4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	US20240101536, Example 7 (US10889571, Example 7) Show SMILES Cc1nc2cc(cc(-c3cncnc3)c2n1C)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C21H16ClF2N5O2/c1-12-27-18-8-13(7-17(19(18)29(12)2)14-9-25-11-26-10-14)20(30)28-15-3-5-16(6-4-15)31-21(22,23)24/h3-11H,1-2H3,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477667 (US10889571, Example 9) Show SMILES COc1nc2cc(cc(-c3cncnc3)c2n1C(C)C)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C23H20ClF2N5O3/c1-13(2)31-20-18(15-10-27-12-28-11-15)8-14(9-19(20)30-22(31)33-3)21(32)29-16-4-6-17(7-5-16)34-23(24,25)26/h4-13H,1-3H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477822 (US10889571, Example 168) Show SMILES OC[C@@H]1COCc2nc3cc(cc(-c4cncnc4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H18ClF2N5O4/c24-23(25,26)35-17-3-1-15(2-4-17)29-22(33)13-5-18(14-7-27-12-28-8-14)21-19(6-13)30-20-11-34-10-16(9-32)31(20)21/h1-8,12,16,32H,9-11H2,(H,29,33)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477839 (US10889571, Example 187) Show SMILES CCn1c(nc2cc(cc(-c3ccn[nH]3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1)[C@H](C)O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477751 (US10889571, Example 95) Show SMILES C[C@@H](CO)n1cnc2cc(cc(-c3ccn[nH]3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM477800 (US10889571, Example 146) Show SMILES C[C@@H]1COCc2nc3cc(cc(-c4cnn[nH]4)c3n12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Terns, Inc. US Patent					Assay Description ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...				US Patent US10889571 (2021) BindingDB Entry DOI: 10.7270/Q27S7RW4
					More data for this Ligand-Target Pair

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