Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 7737   

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 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213626 (US9278981, 218) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(SC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H18ClF3N4O2S/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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213686 (US9278981, 278) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(cc1)C(F)(F)C(F)(F)Cl |r| Show InChI InChI=1S/C22H18ClF4N5O2/c23-22(26,27)21(24,25)15-1-3-16(4-2-15)31-20(34)13-7-18(14-8-28-12-29-9-14)19(30-10-13)32-6-5-17(33)11-32/h1-4,7-10,12,17,33H,5-6,11H2,(H,31,34)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213665 (US9278981, 257) Show SMILES OC[C@@H]1CCN(C[C@@H]1O)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H22ClF2N5O4/c24-23(25,26)35-18-3-1-17(2-4-18)30-22(34)15-7-19(16-8-27-13-28-9-16)21(29-10-15)31-6-5-14(12-32)20(33)11-31/h1-4,7-10,13-14,20,32-33H,5-6,11-12H2,(H,30,34)/t14-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213705 (US9278981, 297) Show SMILES Cc1ncncc1-c1cc(ccc1N1C[C@H](O)[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H21ClF2N4O4/c1-13-18(9-27-12-28-13)17-8-14(2-7-19(17)30-10-20(31)21(32)11-30)22(33)29-15-3-5-16(6-4-15)34-23(24,25)26/h2-9,12,20-21,31-32H,10-11H2,1H3,(H,29,33)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213706 (US9278981, 298) Show SMILES COc1ncc(c(OC)n1)-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H22ClF2N5O5/c1-34-21-18(11-28-22(30-21)35-2)17-9-13(10-27-19(17)31-8-7-15(32)12-31)20(33)29-14-3-5-16(6-4-14)36-23(24,25)26/h3-6,9-11,15,32H,7-8,12H2,1-2H3,(H,29,33)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213410 (US9278981, 2) Show SMILES O[C@@H]1CCN(C1)c1ccc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H19F3N4O3/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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213443 (US9278981, 35) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H18F3N5O3/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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213616 (US9278981, 208) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(cc1)C(F)(F)C(F)(F)F |r| Show InChI InChI=1S/C22H18F5N5O2/c23-21(24,22(25,26)27)15-1-3-16(4-2-15)31-20(34)13-7-18(14-8-28-12-29-9-14)19(30-10-13)32-6-5-17(33)11-32/h1-4,7-10,12,17,33H,5-6,11H2,(H,31,34)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213657 (US9278981, 249) 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+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213693 (US9278981, 285) Show SMILES N[C@H]1CN(C[C@@H]1O)c1ccc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H20ClF3N4O3/c24-23(26,27)34-17-4-2-16(3-5-17)30-22(33)13-1-6-20(31-11-19(28)21(32)12-31)18(8-13)14-7-15(25)10-29-9-14/h1-10,19,21,32H,11-12,28H2,(H,30,33)/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213412 (US9278981, 4) Show SMILES COc1ncc(cn1)-c1cc(ccc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C23H21F3N4O4/c1-33-22-27-11-15(12-28-22)19-10-14(2-7-20(19)30-9-8-17(31)13-30)21(32)29-16-3-5-18(6-4-16)34-23(24,25)26/h2-7,10-12,17,31H,8-9,13H2,1H3,(H,29,32)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213465 (US9278981, 57) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C23H20F3N3O3/c24-23(25,26)32-19-8-6-17(7-9-19)28-22(31)16-12-20(15-4-2-1-3-5-15)21(27-13-16)29-11-10-18(30)14-29/h1-9,12-13,18,30H,10-11,14H2,(H,28,31)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213624 (US9278981, 216) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(cc1)S(F)(F)(F)(F)F |r| Show InChI InChI=1S/C20H18F5N5O2S/c21-33(22,23,24,25)17-3-1-15(2-4-17)29-20(32)13-7-18(14-8-26-12-27-9-14)19(28-10-13)30-6-5-16(31)11-30/h1-4,7-10,12,16,31H,5-6,11H2,(H,29,32)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213550 (US9278981, 142) Show SMILES CC(C)(O)C1CN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N5O3/c1-22(2,33)16-11-31(12-16)20-19(15-8-27-13-28-9-15)7-14(10-29-20)21(32)30-17-3-5-18(6-4-17)34-23(24,25)26/h3-10,13,16,33H,11-12H2,1-2H3,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213626 (US9278981, 218) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(SC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H18ClF3N4O2S/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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213537 (US9278981, 129) Show SMILES Cc1ncc(cn1)-c1cc(cnc1N1CC(C)(O)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C22H20F3N5O3/c1-13-26-9-15(10-27-13)18-7-14(8-28-19(18)30-11-21(2,32)12-30)20(31)29-16-3-5-17(6-4-16)33-22(23,24)25/h3-10,32H,11-12H2,1-2H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213513 (US9278981, 105) 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-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213609 (US9278981, 201) Show SMILES OC[C@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C22H19F4N5O3/c23-18-6-16(1-2-19(18)34-22(24,25)26)30-21(33)14-5-17(15-7-27-12-28-8-15)20(29-9-14)31-4-3-13(10-31)11-32/h1-2,5-9,12-13,32H,3-4,10-11H2,(H,30,33)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213691 (US9278981, 283) Show SMILES Cc1ncncc1-c1cc(cnc1N1C[C@H](O)[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H20ClF2N5O4/c1-12-17(8-26-11-28-12)16-6-13(7-27-20(16)30-9-18(31)19(32)10-30)21(33)29-14-2-4-15(5-3-14)34-22(23,24)25/h2-8,11,18-19,31-32H,9-10H2,1H3,(H,29,33)/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21.6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213686 (US9278981, 278) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(cc1)C(F)(F)C(F)(F)Cl |r| Show InChI InChI=1S/C22H18ClF4N5O2/c23-22(26,27)21(24,25)15-1-3-16(4-2-15)31-20(34)13-7-18(14-8-28-12-29-9-14)19(30-10-13)32-6-5-17(33)11-32/h1-4,7-10,12,17,33H,5-6,11H2,(H,31,34)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213623 (US9278981, 215) Show SMILES CC(F)(F)Oc1ccc(NC(=O)c2cnc(N3CC[C@@H](O)C3)c(c2)-c2cncnc2)cc1 |r| Show InChI InChI=1S/C22H21F2N5O3/c1-22(23,24)32-18-4-2-16(3-5-18)28-21(31)14-8-19(15-9-25-13-26-10-15)20(27-11-14)29-7-6-17(30)12-29/h2-5,8-11,13,17,30H,6-7,12H2,1H3,(H,28,31)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213705 (US9278981, 297) Show SMILES Cc1ncncc1-c1cc(ccc1N1C[C@H](O)[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H21ClF2N4O4/c1-13-18(9-27-12-28-13)17-8-14(2-7-19(17)30-10-20(31)21(32)11-30)22(33)29-15-3-5-16(6-4-15)34-23(24,25)26/h2-9,12,20-21,31-32H,10-11H2,1H3,(H,29,33)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213706 (US9278981, 298) Show SMILES COc1ncc(c(OC)n1)-c1cc(cnc1N1CC[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H22ClF2N5O5/c1-34-21-18(11-28-22(30-21)35-2)17-9-13(10-27-19(17)31-8-7-15(32)12-31)20(33)29-14-3-5-16(6-4-14)36-23(24,25)26/h3-6,9-11,15,32H,7-8,12H2,1-2H3,(H,29,33)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213665 (US9278981, 257) Show SMILES OC[C@@H]1CCN(C[C@@H]1O)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H22ClF2N5O4/c24-23(25,26)35-18-3-1-17(2-4-18)30-22(34)15-7-19(16-8-27-13-28-9-16)21(29-10-15)31-6-5-14(12-32)20(33)11-31/h1-4,7-10,13-14,20,32-33H,5-6,11-12H2,(H,30,34)/t14-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213630 (US9278981, 222) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(cc1)S(=O)C(F)(F)F |r| Show InChI InChI=1S/C22H18F4N4O3S/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)34(33)22(24,25)26/h1-4,7-11,17,31H,5-6,12H2,(H,29,32)/t17-,34?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213620 (US9278981, 212) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)C(F)F)cc1 |r| Show InChI InChI=1S/C23H19F5N4O3/c24-15-7-13(9-29-11-15)19-8-14(10-30-20(19)32-6-5-17(33)12-32)21(34)31-16-1-3-18(4-2-16)35-23(27,28)22(25)26/h1-4,7-11,17,22,33H,5-6,12H2,(H,31,34)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213443 (US9278981, 35) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C21H18F3N5O3/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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213410 (US9278981, 2) Show SMILES O[C@@H]1CCN(C1)c1ccc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H19F3N4O3/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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213616 (US9278981, 208) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(cc1)C(F)(F)C(F)(F)F |r| Show InChI InChI=1S/C22H18F5N5O2/c23-21(24,22(25,26)27)15-1-3-16(4-2-15)31-20(34)13-7-18(14-8-28-12-29-9-14)19(30-10-13)32-6-5-17(33)11-32/h1-4,7-10,12,17,33H,5-6,11H2,(H,31,34)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213657 (US9278981, 249) 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+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213693 (US9278981, 285) Show SMILES N[C@H]1CN(C[C@@H]1O)c1ccc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C23H20ClF3N4O3/c24-23(26,27)34-17-4-2-16(3-5-17)30-22(33)13-1-6-20(31-11-19(28)21(32)12-31)18(8-13)14-7-15(25)10-29-9-14/h1-10,19,21,32H,11-12,28H2,(H,30,33)/t19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213624 (US9278981, 216) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(cc1)S(F)(F)(F)(F)F |r| Show InChI InChI=1S/C20H18F5N5O2S/c21-33(22,23,24,25)17-3-1-15(2-4-17)29-20(32)13-7-18(14-8-26-12-27-9-14)19(28-10-13)30-6-5-16(31)11-30/h1-4,7-10,12,16,31H,5-6,11H2,(H,29,32)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213609 (US9278981, 201) Show SMILES OC[C@H]1CCN(C1)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C22H19F4N5O3/c23-18-6-16(1-2-19(18)34-22(24,25)26)30-21(33)14-5-17(15-7-27-12-28-8-15)20(29-9-14)31-4-3-13(10-31)11-32/h1-2,5-9,12-13,32H,3-4,10-11H2,(H,30,33)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	273	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213691 (US9278981, 283) Show SMILES Cc1ncncc1-c1cc(cnc1N1C[C@H](O)[C@@H](O)C1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C22H20ClF2N5O4/c1-12-17(8-26-11-28-12)16-6-13(7-27-20(16)30-9-18(31)19(32)10-30)21(33)29-14-2-4-15(5-3-14)34-22(23,24)25/h2-8,11,18-19,31-32H,9-10H2,1H3,(H,29,33)/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213620 (US9278981, 212) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cncc(F)c1)C(=O)Nc1ccc(OC(F)(F)C(F)F)cc1 |r| Show InChI InChI=1S/C23H19F5N4O3/c24-15-7-13(9-29-11-15)19-8-14(10-30-20(19)32-6-5-17(33)12-32)21(34)31-16-1-3-18(4-2-16)35-23(27,28)22(25)26/h1-4,7-11,17,22,33H,5-6,12H2,(H,31,34)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	442	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213537 (US9278981, 129) Show SMILES Cc1ncc(cn1)-c1cc(cnc1N1CC(C)(O)C1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C22H20F3N5O3/c1-13-26-9-15(10-27-13)18-7-14(8-28-19(18)30-11-21(2,32)12-30)20(31)29-16-3-5-17(6-4-16)33-22(23,24)25/h3-10,32H,11-12H2,1-2H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	513	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test compounds were resuspended in DMSO at a concentration of 10 mM. A serial three-fold dilution of each compound with DMSO was performed in 384-wel...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair

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