Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 8594   

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
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459438 (US10752635, Example 1, Peak 1 | US11492354, Exampl...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2nn(C)cc2c1N1C[C@@H]2C[C@H]1CN2 |r| Show InChI InChI=1S/C25H23F2N7O2/c1-33-12-15-22(32-33)17(27)9-19(23(15)34-11-13-8-14(34)10-29-13)31-25(35)18-6-7-28-24(30-18)21-16(26)4-3-5-20(21)36-2/h3-7,9,12-14,29H,8,10-11H2,1-2H3,(H,31,35)/t13-,14-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459491 (US10752635, Example 42 | US11492354, Example 42) Show SMILES COCCn1ncc2c(N3C[C@@H](N)C[C@H]3CO)c(NC(=O)c3cccc(n3)-c3c(F)cccc3OC)cc(F)c12 |r| Show InChI InChI=1S/C28H30F2N6O4/c1-39-10-9-36-26-18(13-32-36)27(35-14-16(31)11-17(35)15-37)23(12-20(26)30)34-28(38)22-7-4-6-21(33-22)25-19(29)5-3-8-24(25)40-2/h3-8,12-13,16-17,37H,9-11,14-15,31H2,1-2H3,(H,34,38)/t16-,17-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459440 (US10752635, Example 2 | US11492354, Example 2) Show SMILES CCNC(=O)N1C[C@@H]2C[C@H]1CN2c1c(NC(=O)c2ccnc(n2)-c2c(F)cccc2OC)cc(F)c2n(C)ncc12 |r| Show InChI InChI=1S/C28H28F2N8O3/c1-4-31-28(40)38-14-15-10-16(38)13-37(15)25-17-12-33-36(2)24(17)19(30)11-21(25)35-27(39)20-8-9-32-26(34-20)23-18(29)6-5-7-22(23)41-3/h5-9,11-12,15-16H,4,10,13-14H2,1-3H3,(H,31,40)(H,35,39)/t15-,16-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459441 (US10752635, Example 3, Peak 1 | US11492354, Exampl...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1C[C@@H](N)C[C@H]1CO |r| Show InChI InChI=1S/C25H25F2N7O3/c1-33-22-15(10-30-33)23(34-11-13(28)8-14(34)12-35)19(9-17(22)27)32-25(36)18-6-7-29-24(31-18)21-16(26)4-3-5-20(21)37-2/h3-7,9-10,13-14,35H,8,11-12,28H2,1-2H3,(H,32,36)/t13-,14-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459442 (US10752635, Example 3, Peak 2 | US11492354, Exampl...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2nn(C)cc2c1N1C[C@@H](N)C[C@H]1CO |r| Show InChI InChI=1S/C25H25F2N7O3/c1-33-11-15-22(32-33)17(27)9-19(23(15)34-10-13(28)8-14(34)12-35)31-25(36)18-6-7-29-24(30-18)21-16(26)4-3-5-20(21)37-2/h3-7,9,11,13-14,35H,8,10,12,28H2,1-2H3,(H,31,36)/t13-,14-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459443 (US10752635, Example 4, Peak 1 | US11492354, Exampl...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C24H23F2N7O2/c1-32-21-14(11-29-32)22(33-9-7-13(27)12-33)18(10-16(21)26)31-24(34)17-6-8-28-23(30-17)20-15(25)4-3-5-19(20)35-2/h3-6,8,10-11,13H,7,9,12,27H2,1-2H3,(H,31,34)/t13-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459444 (US10752635, Example 4, Peak 2 | US11492354, Exampl...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2nn(C)cc2c1N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C24H23F2N7O2/c1-32-12-14-21(31-32)16(26)10-18(22(14)33-9-7-13(27)11-33)30-24(34)17-6-8-28-23(29-17)20-15(25)4-3-5-19(20)35-2/h3-6,8,10,12-13H,7,9,11,27H2,1-2H3,(H,30,34)/t13-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459445 (US10752635, Example 5, Peak 1 | US11492354, Exampl...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1C[C@@H]2CC[C@H]1CN2 |r| Show InChI InChI=1S/C26H25F2N7O2/c1-34-23-16(12-31-34)24(35-13-14-6-7-15(35)11-30-14)20(10-18(23)28)33-26(36)19-8-9-29-25(32-19)22-17(27)4-3-5-21(22)37-2/h3-5,8-10,12,14-15,30H,6-7,11,13H2,1-2H3,(H,33,36)/t14-,15-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459446 (US10752635, Example 5, Peak 2 | US11492354, Exampl...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2nn(C)cc2c1N1C[C@@H]2CC[C@H]1CN2 |r| Show InChI InChI=1S/C26H25F2N7O2/c1-34-13-16-23(33-34)18(28)10-20(24(16)35-12-14-6-7-15(35)11-30-14)32-26(36)19-8-9-29-25(31-19)22-17(27)4-3-5-21(22)37-2/h3-5,8-10,13-15,30H,6-7,11-12H2,1-2H3,(H,32,36)/t14-,15-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459447 (US10752635, Example 6, Peak 1 | US11492354, Exampl...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C25H24F2N6O3/c1-32-22-15(12-29-32)23(33-10-4-5-14(33)13-34)19(11-17(22)27)31-25(35)18-8-9-28-24(30-18)21-16(26)6-3-7-20(21)36-2/h3,6-9,11-12,14,34H,4-5,10,13H2,1-2H3,(H,31,35)/t14-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459448 (US10752635, Example 6, Peak 2 | US11492354, Exampl...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2nn(C)cc2c1N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C25H24F2N6O3/c1-32-12-15-22(31-32)17(27)11-19(23(15)33-10-4-5-14(33)13-34)30-25(35)18-8-9-28-24(29-18)21-16(26)6-3-7-20(21)36-2/h3,6-9,11-12,14,34H,4-5,10,13H2,1-2H3,(H,30,35)/t14-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459449 (US10752635, Example 7, Peak 1 | US11492354, Exampl...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1CCOCC1 Show InChI InChI=1S/C24H22F2N6O3/c1-31-21-14(13-28-31)22(32-8-10-35-11-9-32)18(12-16(21)26)30-24(33)17-6-7-27-23(29-17)20-15(25)4-3-5-19(20)34-2/h3-7,12-13H,8-11H2,1-2H3,(H,30,33)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459450 (US10752635, Example 7, Peak 2 | US11492354, Exampl...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2nn(C)cc2c1N1CCOCC1 Show InChI InChI=1S/C24H22F2N6O3/c1-31-13-14-21(30-31)16(26)12-18(22(14)32-8-10-35-11-9-32)29-24(33)17-6-7-27-23(28-17)20-15(25)4-3-5-19(20)34-2/h3-7,12-13H,8-11H2,1-2H3,(H,29,33)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459451 (US10752635, Example 8, Peak 1 | US11492354, Exampl...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1CCC2(CCNC2=O)C1 Show InChI InChI=1S/C27H25F2N7O3/c1-35-22-15(13-32-35)23(36-11-8-27(14-36)7-10-31-26(27)38)19(12-17(22)29)34-25(37)18-6-9-30-24(33-18)21-16(28)4-3-5-20(21)39-2/h3-6,9,12-13H,7-8,10-11,14H2,1-2H3,(H,31,38)(H,34,37)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459452 (US10752635, Example 8, Peak 2 | US11492354, Exampl...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2nn(C)cc2c1N1CCC2(CCNC2=O)C1 Show InChI InChI=1S/C27H25F2N7O3/c1-35-13-15-22(34-35)17(29)12-19(23(15)36-11-8-27(14-36)7-10-31-26(27)38)33-25(37)18-6-9-30-24(32-18)21-16(28)4-3-5-20(21)39-2/h3-6,9,12-13H,7-8,10-11,14H2,1-2H3,(H,31,38)(H,33,37)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459453 (US10752635, Example 9 | US11492354, Example 9) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1CC(N)C1 Show InChI InChI=1S/C23H21F2N7O2/c1-31-20-13(9-28-31)21(32-10-12(26)11-32)17(8-15(20)25)30-23(33)16-6-7-27-22(29-16)19-14(24)4-3-5-18(19)34-2/h3-9,12H,10-11,26H2,1-2H3,(H,30,33)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459454 (US10752635, Example 10, Peak 1 | US11492354, Examp...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1CCC[C@@H]1CN |r| Show InChI InChI=1S/C25H25F2N7O2/c1-33-22-15(13-30-33)23(34-10-4-5-14(34)12-28)19(11-17(22)27)32-25(35)18-8-9-29-24(31-18)21-16(26)6-3-7-20(21)36-2/h3,6-9,11,13-14H,4-5,10,12,28H2,1-2H3,(H,32,35)/t14-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459455 (US10752635, Example 10, Peak 2 | US11492354, Examp...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2nn(C)cc2c1N1CCC[C@@H]1CN |r| Show InChI InChI=1S/C25H25F2N7O2/c1-33-13-15-22(32-33)17(27)11-19(23(15)34-10-4-5-14(34)12-28)31-25(35)18-8-9-29-24(30-18)21-16(26)6-3-7-20(21)36-2/h3,6-9,11,13-14H,4-5,10,12,28H2,1-2H3,(H,31,35)/t14-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459456 (US10752635, Example 11 | US11492354, Example 11) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1C1CCNC1 Show InChI InChI=1S/C24H22F2N6O2/c1-32-22-14(12-29-32)20(13-6-8-27-11-13)18(10-16(22)26)31-24(33)17-7-9-28-23(30-17)21-15(25)4-3-5-19(21)34-2/h3-5,7,9-10,12-13,27H,6,8,11H2,1-2H3,(H,31,33)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459457 (US10752635, Example 12 | US11492354, Example 12) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1CCCC1=O Show InChI InChI=1S/C24H20F2N6O3/c1-31-21-13(12-28-31)22(32-10-4-7-19(32)33)17(11-15(21)26)30-24(34)16-8-9-27-23(29-16)20-14(25)5-3-6-18(20)35-2/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,30,34)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459458 (US10752635, Example 13 | US11492354, Example 13) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1-n1cccn1 Show InChI InChI=1S/C23H17F2N7O2/c1-31-20-13(12-28-31)21(32-10-4-8-27-32)17(11-15(20)25)30-23(33)16-7-9-26-22(29-16)19-14(24)5-3-6-18(19)34-2/h3-12H,1-2H3,(H,30,33)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459459 (US10752635, Example 14, Peak 1 | US11492354, Examp...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1-c1ccccc1C |(-.62,-3.29,;-1.95,-4.06,;-3.29,-3.29,;-3.29,-1.75,;-4.62,-.98,;-5.96,-1.75,;-5.96,-3.29,;-7.29,-4.06,;-4.62,-4.06,;-4.62,-5.6,;-5.96,-6.37,;-5.96,-7.91,;-4.62,-8.68,;-3.29,-7.91,;-3.29,-6.37,;-1.95,-8.68,;-1.95,-10.22,;-.62,-7.91,;.71,-8.68,;.71,-10.22,;2.05,-10.99,;2.05,-12.53,;3.38,-10.22,;4.84,-10.69,;5.32,-12.16,;5.75,-9.45,;4.84,-8.2,;3.38,-8.68,;2.05,-7.91,;2.05,-6.37,;.71,-5.6,;.71,-4.06,;2.05,-3.29,;3.38,-4.06,;3.38,-5.6,;4.71,-6.37,)| Show InChI InChI=1S/C27H21F2N5O2/c1-15-7-4-5-8-16(15)23-17-14-31-34(2)25(17)19(29)13-21(23)33-27(35)20-11-12-30-26(32-20)24-18(28)9-6-10-22(24)36-3/h4-14H,1-3H3,(H,33,35)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459460 (US10752635, Example 14, Peak 2 | US11492354, Examp...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2nn(C)cc2c1-c1ccccc1C |(-.62,-3.29,;-1.95,-4.06,;-3.29,-3.29,;-3.29,-1.75,;-4.62,-.98,;-5.96,-1.75,;-5.96,-3.29,;-7.29,-4.06,;-4.62,-4.06,;-4.62,-5.6,;-5.96,-6.37,;-5.96,-7.91,;-4.62,-8.68,;-3.29,-7.91,;-3.29,-6.37,;-1.95,-8.68,;-1.95,-10.22,;-.62,-7.91,;.71,-8.68,;.71,-10.22,;2.05,-10.99,;2.05,-12.53,;3.38,-10.22,;4.84,-10.69,;5.75,-9.45,;7.29,-9.45,;4.84,-8.2,;3.38,-8.68,;2.05,-7.91,;2.05,-6.37,;.71,-5.6,;.71,-4.06,;2.05,-3.29,;3.38,-4.06,;3.38,-5.6,;4.71,-6.37,)| Show InChI InChI=1S/C27H21F2N5O2/c1-15-7-4-5-8-16(15)23-17-14-34(2)33-25(17)19(29)13-21(23)32-27(35)20-11-12-30-26(31-20)24-18(28)9-6-10-22(24)36-3/h4-14H,1-3H3,(H,32,35)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459461 (US10752635, Example 15, Peak 1 | US11492354, Examp...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(C#N)c2n(C)ncc2c1N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C26H25FN8O2/c1-34-23-15(12-28)11-20(24(17(23)13-31-34)35-10-4-5-16(29)14-35)33-26(36)19-8-9-30-25(32-19)22-18(27)6-3-7-21(22)37-2/h3,6-9,11,13,16H,4-5,10,14,29H2,1-2H3,(H,33,36)/t16-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459462 (US10752635, Example 15, Peak 2 | US11492354, Examp...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(C#N)c2nn(C)cc2c1N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C26H25FN8O2/c1-34-14-17-23(33-34)15(12-28)11-20(24(17)35-10-4-5-16(29)13-35)32-26(36)19-8-9-30-25(31-19)22-18(27)6-3-7-21(22)37-2/h3,6-9,11,14,16H,4-5,10,13,29H2,1-2H3,(H,32,36)/t16-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459439 (US10752635, Example 1, Peak 2 | US11492354, Exampl...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1C[C@@H]2C[C@H]1CN2 |r| Show InChI InChI=1S/C25H23F2N7O2/c1-33-22-15(11-30-33)23(34-12-13-8-14(34)10-29-13)19(9-17(22)27)32-25(35)18-6-7-28-24(31-18)21-16(26)4-3-5-20(21)36-2/h3-7,9,11,13-14,29H,8,10,12H2,1-2H3,(H,32,35)/t13-,14-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459490 (US10752635, Example 41 | US11492354, Example 41) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N(C)[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C26H27F2N7O2/c1-34(15-6-5-10-29-13-15)24-16-14-31-35(2)23(16)18(28)12-20(24)33-26(36)19-9-11-30-25(32-19)22-17(27)7-4-8-21(22)37-3/h4,7-9,11-12,14-15,29H,5-6,10,13H2,1-3H3,(H,33,36)/t15-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459464 (US10752635, Example 16, Peak 2 | US11492354, Examp...) Show SMILES CNC(=O)c1cc(NC(=O)c2ccnc(n2)-c2c(F)cccc2OC)c(N2CCC[C@@H](N)C2)c2cn(C)nc12 |r| Show InChI InChI=1S/C27H29FN8O3/c1-30-26(37)16-12-20(24(17-14-35(2)34-23(16)17)36-11-5-6-15(29)13-36)33-27(38)19-9-10-31-25(32-19)22-18(28)7-4-8-21(22)39-3/h4,7-10,12,14-15H,5-6,11,13,29H2,1-3H3,(H,30,37)(H,33,38)/t15-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459465 (US10752635, Example 17 | US11492354, Example 17) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(CCO)ncc2c1N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H25F2N7O3/c1-37-20-4-2-3-16(26)21(20)24-29-7-5-18(31-24)25(36)32-19-11-17(27)22-15(12-30-34(22)9-10-35)23(19)33-8-6-14(28)13-33/h2-5,7,11-12,14,35H,6,8-10,13,28H2,1H3,(H,32,36)/t14-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459466 (US10752635, Example 18, Peak 1 | US11492354, Examp...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(C)c2n(C)ncc2c1N1CCNCC1 Show InChI InChI=1S/C25H26FN7O2/c1-15-13-19(23(33-11-9-27-10-12-33)16-14-29-32(2)22(15)16)31-25(34)18-7-8-28-24(30-18)21-17(26)5-4-6-20(21)35-3/h4-8,13-14,27H,9-12H2,1-3H3,(H,31,34)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459467 (US10752635, Example 18, Peak 2 | US11492354, Examp...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(C)c2nn(C)cc2c1N1CCNCC1 Show InChI InChI=1S/C25H26FN7O2/c1-15-13-19(23(33-11-9-27-10-12-33)16-14-32(2)31-22(15)16)30-25(34)18-7-8-28-24(29-18)21-17(26)5-4-6-20(21)35-3/h4-8,13-14,27H,9-12H2,1-3H3,(H,30,34)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459468 (US10752635, Example 19 | US11492354, Example 19) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(C)c2nn(C)cc2c1N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H26FN7O2/c1-14-11-19(23(33-10-8-15(27)12-33)16-13-32(2)31-22(14)16)30-25(34)18-7-9-28-24(29-18)21-17(26)5-4-6-20(21)35-3/h4-7,9,11,13,15H,8,10,12,27H2,1-3H3,(H,30,34)/t15-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459469 (US10752635, Example 20 | US11492354, Example 20) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1-c1cccnc1 Show InChI InChI=1S/C25H18F2N6O2/c1-33-23-15(13-30-33)21(14-5-4-9-28-12-14)19(11-17(23)27)32-25(34)18-8-10-29-24(31-18)22-16(26)6-3-7-20(22)35-2/h3-13H,1-2H3,(H,32,34)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459470 (US10752635, Example 21 | US11492354, Example 21) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1-c1cnn(C)c1 Show InChI InChI=1S/C24H19F2N7O2/c1-32-12-13(10-28-32)20-14-11-29-33(2)22(14)16(26)9-18(20)31-24(34)17-7-8-27-23(30-17)21-15(25)5-4-6-19(21)35-3/h4-12H,1-3H3,(H,31,34)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459471 (US10752635, Example 22 | US11492354, Example 22) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1-c1cccc(CO)c1 Show InChI InChI=1S/C27H21F2N5O3/c1-34-25-17(13-31-34)23(16-6-3-5-15(11-16)14-35)21(12-19(25)29)33-27(36)20-9-10-30-26(32-20)24-18(28)7-4-8-22(24)37-2/h3-13,35H,14H2,1-2H3,(H,33,36)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459472 (US10752635, Example 23 | US11492354, Example 23) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1-c1ccccc1CO |(,3.47,;-1.33,2.69,;-2.67,3.47,;-2.67,5,;-4,5.78,;-5.33,5,;-5.33,3.47,;-6.67,2.69,;-4,2.69,;-4,1.15,;-5.33,.38,;-5.33,-1.15,;-4,-1.93,;-2.67,-1.15,;-2.67,.38,;-1.33,-1.93,;-1.33,-3.47,;,-1.15,;1.33,-1.93,;1.33,-3.47,;2.67,-4.23,;2.67,-5.78,;4,-3.47,;5.47,-3.94,;5.94,-5.41,;6.37,-2.69,;5.47,-1.45,;4,-1.93,;2.67,-1.15,;2.67,.38,;1.33,1.16,;1.33,2.7,;2.67,3.47,;4,2.7,;4,1.16,;5.33,.39,;6.67,1.16,)| Show InChI InChI=1S/C27H21F2N5O3/c1-34-25-17(13-31-34)23(16-7-4-3-6-15(16)14-35)21(12-19(25)29)33-27(36)20-10-11-30-26(32-20)24-18(28)8-5-9-22(24)37-2/h3-13,35H,14H2,1-2H3,(H,33,36)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459473 (US10752635, Example 24 | US11492354, Example 24) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C29H26F2N6O2/c1-36(2)16-17-7-5-8-18(13-17)25-19-15-33-37(3)27(19)21(31)14-23(25)35-29(38)22-11-12-32-28(34-22)26-20(30)9-6-10-24(26)39-4/h5-15H,16H2,1-4H3,(H,35,38)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459474 (US10752635, Example 25 | US11492354, Example 25) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(CCO)ncc2c1N1C[C@@H]2C[C@H]1CN2 |r| Show InChI InChI=1S/C26H25F2N7O3/c1-38-21-4-2-3-17(27)22(21)25-29-6-5-19(32-25)26(37)33-20-10-18(28)23-16(12-31-35(23)7-8-36)24(20)34-13-14-9-15(34)11-30-14/h2-6,10,12,14-15,30,36H,7-9,11,13H2,1H3,(H,33,37)/t14-,15-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459475 (US10752635, Example 26 | US11492354, Example 26) Show SMILES COCCn1ncc2c(N3C[C@@H]4C[C@H]3CN4)c(NC(=O)c3ccnc(n3)-c3c(F)cccc3OC)cc(F)c12 |r| Show InChI InChI=1S/C27H27F2N7O3/c1-38-9-8-36-24-17(13-32-36)25(35-14-15-10-16(35)12-31-15)21(11-19(24)29)34-27(37)20-6-7-30-26(33-20)23-18(28)4-3-5-22(23)39-2/h3-7,11,13,15-16,31H,8-10,12,14H2,1-2H3,(H,34,37)/t15-,16-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459476 (US10752635, Example 27 | US11492354, Example 27) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc2n(C)nc(I)c2c1N1CCC(CC1)N(C)C Show InChI InChI=1S/C27H29FIN7O2/c1-34(2)16-11-14-36(15-12-16)24-18(8-9-20-23(24)25(29)33-35(20)3)32-27(37)19-10-13-30-26(31-19)22-17(28)6-5-7-21(22)38-4/h5-10,13,16H,11-12,14-15H2,1-4H3,(H,32,37)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459477 (US10752635, Example 28 | US11492354, Example 28) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc2n(C)nc(C)c2c1N1CCC(CC1)N(C)C Show InChI InChI=1S/C28H32FN7O2/c1-17-24-22(35(4)33-17)10-9-20(26(24)36-15-12-18(13-16-36)34(2)3)32-28(37)21-11-14-30-27(31-21)25-19(29)7-6-8-23(25)38-5/h6-11,14,18H,12-13,15-16H2,1-5H3,(H,32,37)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459479 (US10752635, Example 30 | US11492354, Example 30) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc2n(C)nc(-c3cnn(C)c3)c2c1N1CCC(CC1)N(C)C Show InChI InChI=1S/C31H34FN9O2/c1-38(2)20-12-15-41(16-13-20)29-22(9-10-24-27(29)28(37-40(24)4)19-17-34-39(3)18-19)36-31(42)23-11-14-33-30(35-23)26-21(32)7-6-8-25(26)43-5/h6-11,14,17-18,20H,12-13,15-16H2,1-5H3,(H,36,42)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459480 (US10752635, Example 31 | US11492354, Example 31) Show SMILES COCCn1ncc2c(N3C[C@@H](N)C[C@H]3CO)c(NC(=O)c3ccnc(n3)-c3c(F)cccc3OC)cc(F)c12 |r| Show InChI InChI=1S/C27H29F2N7O4/c1-39-9-8-36-24-17(12-32-36)25(35-13-15(30)10-16(35)14-37)21(11-19(24)29)34-27(38)20-6-7-31-26(33-20)23-18(28)4-3-5-22(23)40-2/h3-7,11-12,15-16,37H,8-10,13-14,30H2,1-2H3,(H,34,38)/t15-,16-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459481 (US10752635, Example 32 | US11492354, Example 32) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(ncc2c1N1C[C@@H](N)C[C@H]1CO)[C@@H]1CCOC1 |r| Show InChI InChI=1S/C28H29F2N7O4/c1-40-23-4-2-3-19(29)24(23)27-32-7-5-21(34-27)28(39)35-22-10-20(30)25-18(11-33-37(25)16-6-8-41-14-16)26(22)36-12-15(31)9-17(36)13-38/h2-5,7,10-11,15-17,38H,6,8-9,12-14,31H2,1H3,(H,35,39)/t15-,16+,17-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459482 (US10752635, Example 33 | US11492354, Example 33) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2nn(C)cc2c1N1CCN[C@@H](CO)C1 |r| Show InChI InChI=1S/C25H25F2N7O3/c1-33-12-15-22(32-33)17(27)10-19(23(15)34-9-8-28-14(11-34)13-35)31-25(36)18-6-7-29-24(30-18)21-16(26)4-3-5-20(21)37-2/h3-7,10,12,14,28,35H,8-9,11,13H2,1-2H3,(H,31,36)/t14-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459483 (US10752635, Example 34 | US11492354, Example 34) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(ncc2c1N1C[C@@H](N)C[C@H]1CO)-c1ccncc1C#N |r| Show InChI InChI=1S/C30H25F2N9O3/c1-44-25-4-2-3-20(31)26(25)29-36-8-5-22(38-29)30(43)39-23-10-21(32)27-19(28(23)40-14-17(34)9-18(40)15-42)13-37-41(27)24-6-7-35-12-16(24)11-33/h2-8,10,12-13,17-18,42H,9,14-15,34H2,1H3,(H,39,43)/t17-,18-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459484 (US10752635, Example 35 | US11492354, Example 35) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1C[C@@H](O)C[C@H]1CN |r| Show InChI InChI=1S/C25H25F2N7O3/c1-33-22-15(11-30-33)23(34-12-14(35)8-13(34)10-28)19(9-17(22)27)32-25(36)18-6-7-29-24(31-18)21-16(26)4-3-5-20(21)37-2/h3-7,9,11,13-14,35H,8,10,12,28H2,1-2H3,(H,32,36)/t13-,14-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459485 (US10752635, Example 36 | US11492354, Example 36) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(CCF)ncc2c1N1C[C@@H]2C[C@H]1CN2 |r| Show InChI InChI=1S/C26H24F3N7O2/c1-38-21-4-2-3-17(28)22(21)25-30-7-5-19(33-25)26(37)34-20-10-18(29)23-16(12-32-36(23)8-6-27)24(20)35-13-14-9-15(35)11-31-14/h2-5,7,10,12,14-15,31H,6,8-9,11,13H2,1H3,(H,34,37)/t14-,15-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459486 (US10752635, Example 37 | US11492354, Example 37) Show SMILES COCCn1ncc2c(N3C[C@@H](N)C[C@H]3CO)c(NC(=O)c3ccnc(n3)-c3c(F)c(C)ccc3OC)cc(F)c12 |r| Show InChI InChI=1S/C28H31F2N7O4/c1-15-4-5-22(41-3)23(24(15)30)27-32-7-6-20(34-27)28(39)35-21-11-19(29)25-18(12-33-37(25)8-9-40-2)26(21)36-13-16(31)10-17(36)14-38/h4-7,11-12,16-17,38H,8-10,13-14,31H2,1-3H3,(H,35,39)/t16-,17-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459487 (US10752635, Example 38 | US11492354, Example 38) Show SMILES COCCn1ncc2c(N3C[C@@H](N)C[C@H]3CO)c(NC(=O)c3ccnc(n3)-c3c(F)cc(N)cc3OC)cc(F)c12 |r| Show InChI InChI=1S/C27H30F2N8O4/c1-40-6-5-37-24-17(11-33-37)25(36-12-15(31)7-16(36)13-38)21(10-19(24)29)35-27(39)20-3-4-32-26(34-20)23-18(28)8-14(30)9-22(23)41-2/h3-4,8-11,15-16,38H,5-7,12-13,30-31H2,1-2H3,(H,35,39)/t15-,16-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair

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