Compile Data Set for Download or QSAR

Found 2555 hits Enz. Inhib. hit(s) with all data for entry = 31   

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
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM87369 (US10245267, Example 704 | US10709712, Example 704 ...) Show SMILES CCNc1nc(cc(n1)-c1cc(NC(=O)c2cccc(c2)S(C)(=O)=O)ccc1C)N1CCOCC1 Show InChI InChI=1S/C25H29N5O4S/c1-4-26-25-28-22(16-23(29-25)30-10-12-34-13-11-30)21-15-19(9-8-17(21)2)27-24(31)18-6-5-7-20(14-18)35(3,32)33/h5-9,14-16H,4,10-13H2,1-3H3,(H,27,31)(H,26,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM87817 (US10245267, Example 847 | US10709712, Example 847 ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1cc(N2CCOCC2)c2nccn2n1 Show InChI InChI=1S/C25H23F2N5O2/c1-16-5-6-19(29-25(33)18-4-2-3-17(13-18)23(26)27)14-20(16)21-15-22(31-9-11-34-12-10-31)24-28-7-8-32(24)30-21/h2-8,13-15,23H,9-12H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202851 (US10245267, Example 829 | US10709712, Example 204 ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc(N2CCOCC2)c2sccc2n1 Show InChI InChI=1S/C25H21F3N4O2S/c1-15-5-6-18(29-24(33)16-3-2-4-17(13-16)25(26,27)28)14-19(15)22-30-20-7-12-35-21(20)23(31-22)32-8-10-34-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202729 (US10245267, Example 75 | US10709712, Example 75 | ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1ccnc(c1)N1CCOCC1 Show InChI InChI=1S/C24H23F2N3O2/c1-16-5-6-20(28-24(30)19-4-2-3-18(13-19)23(25)26)15-21(16)17-7-8-27-22(14-17)29-9-11-31-12-10-29/h2-8,13-15,23H,9-12H2,1H3,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202729 (US10245267, Example 75 | US10709712, Example 75 | ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1ccnc(c1)N1CCOCC1 Show InChI InChI=1S/C24H23F2N3O2/c1-16-5-6-20(28-24(30)19-4-2-3-18(13-19)23(25)26)15-21(16)17-7-8-27-22(14-17)29-9-11-31-12-10-29/h2-8,13-15,23H,9-12H2,1H3,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM88127 (US10245267, Example 1162 | US10709712, Example 116...) Show SMILES Cc1ccc(NC(=O)c2cnnc(c2)C2CC2)cc1-c1cc(OCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C26H29N5O4/c1-17-2-5-21(28-26(33)20-12-23(18-3-4-18)30-27-16-20)15-22(17)19-13-24(31-6-9-34-10-7-31)29-25(14-19)35-11-8-32/h2,5,12-16,18,32H,3-4,6-11H2,1H3,(H,28,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202850 (US10245267, Example 824 | US10709712, Example 203 ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cn2ccnc2c(n1)N1CCOCC1 Show InChI InChI=1S/C25H22F3N5O2/c1-16-5-6-19(30-24(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-33-8-7-29-22(33)23(31-21)32-9-11-35-12-10-32/h2-8,13-15H,9-12H2,1H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM87741 (US10245267, Example 777 | US10709712, Example 777 ...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(nc(OC2CNC2)n1)N1CCOCC1 Show InChI InChI=1S/C28H31N7O3/c1-18-4-5-20(32-26(36)19-6-7-31-24(12-19)28(2,3)17-29)13-22(18)23-14-25(35-8-10-37-11-9-35)34-27(33-23)38-21-15-30-16-21/h4-7,12-14,21,30H,8-11,15-16H2,1-3H3,(H,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM87369 (US10245267, Example 704 | US10709712, Example 704 ...) Show SMILES CCNc1nc(cc(n1)-c1cc(NC(=O)c2cccc(c2)S(C)(=O)=O)ccc1C)N1CCOCC1 Show InChI InChI=1S/C25H29N5O4S/c1-4-26-25-28-22(16-23(29-25)30-10-12-34-13-11-30)21-15-19(9-8-17(21)2)27-24(31)18-6-5-7-20(14-18)35(3,32)33/h5-9,14-16H,4,10-13H2,1-3H3,(H,27,31)(H,26,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM87829 (US10245267, Example 857 | US10709712, Example 857 ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc2CCS(=O)(=O)c2c(n1)N1CCOCC1 Show InChI InChI=1S/C25H23F3N4O4S/c1-15-5-6-18(29-24(33)16-3-2-4-17(13-16)25(26,27)28)14-19(15)22-30-20-7-12-37(34,35)21(20)23(31-22)32-8-10-36-11-9-32/h2-6,13-14H,7-12H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM88121 (US10245267, Example 1157 | US10709712, Example 115...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C2CC2)cc1-c1cc(OCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C27H30N4O4/c1-18-2-5-22(29-27(33)20-6-7-28-24(14-20)19-3-4-19)17-23(18)21-15-25(31-8-11-34-12-9-31)30-26(16-21)35-13-10-32/h2,5-7,14-17,19,32H,3-4,8-13H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202696 (US10245267, Example 43 | US10709712, Example 42 | ...) Show SMILES CC(=C)c1cc(nc(n1)N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C26H25F3N4O2/c1-16(2)22-15-23(32-25(31-22)33-9-11-35-12-10-33)21-14-20(8-7-17(21)3)30-24(34)18-5-4-6-19(13-18)26(27,28)29/h4-8,13-15H,1,9-12H2,2-3H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM81120 (US10245267, Example 413 | US10709712, Example 413 ...) Show SMILES Cn1cc(cc(N2CCOCC2)c1=O)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1Cl Show InChI InChI=1S/C23H20ClF3N4O3/c1-30-13-15(10-19(22(30)33)31-6-8-34-9-7-31)17-12-16(2-3-18(17)24)29-21(32)14-4-5-28-20(11-14)23(25,26)27/h2-5,10-13H,6-9H2,1H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM81181 (US10245267, Example 480 | US10709712, Example 480 ...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C2(CC2)C#N)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1 Show InChI InChI=1S/C27H27N5O3/c1-18-3-4-21(30-26(34)19-5-8-29-23(13-19)27(17-28)6-7-27)16-22(18)20-14-24(31(2)25(33)15-20)32-9-11-35-12-10-32/h3-5,8,13-16H,6-7,9-12H2,1-2H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202731 (US10245267, Example 77 | US10709712, Example 77 | ...) Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(c1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C27H28F3N5O3/c1-18-23(16-22(17-31-18)32-26(36)19-3-2-4-21(13-19)27(28,29)30)20-14-24(34-5-9-37-10-6-34)33-25(15-20)35-7-11-38-12-8-35/h2-4,13-17H,5-12H2,1H3,(H,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202800 (US10245267, Example 147 | US10709712, Example 147 ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(CC#N)c1 Show InChI InChI=1S/C26H23F3N4O3/c1-17-5-6-21(31-24(34)18-3-2-4-20(13-18)26(27,28)29)15-22(17)19-14-23(32-9-11-36-12-10-32)25(35)33(16-19)8-7-30/h2-6,13-16H,8-12H2,1H3,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM87846 (US10245267, Example 879 | US10709712, Example 871 ...) Show SMILES Cc1ncc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cc(N2CCOCC2)c2nccn2n1 Show InChI InChI=1S/C24H23F2N7O2/c1-15-18(19-13-20(32-7-9-35-10-8-32)22-28-5-6-33(22)31-19)12-17(14-29-15)30-23(34)16-3-4-27-21(11-16)24(2,25)26/h3-6,11-14H,7-10H2,1-2H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202682 (US10245267, Example 38 | US10709712, Example 38 | ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)S(C)(=O)=O)N1CCOCC1 Show InChI InChI=1S/C24H23F3N4O4S/c1-15-6-7-18(28-22(32)16-4-3-5-17(12-16)24(25,26)27)13-19(15)20-14-21(31-8-10-35-11-9-31)30-23(29-20)36(2,33)34/h3-7,12-14H,8-11H2,1-2H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202688 (US10245267, Example 33 | US10709712, Example 33 | ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)-n1ccnc1)N1CCOCC1 Show InChI InChI=1S/C26H23F3N6O2/c1-17-5-6-20(31-24(36)18-3-2-4-19(13-18)26(27,28)29)14-21(17)22-15-23(34-9-11-37-12-10-34)33-25(32-22)35-8-7-30-16-35/h2-8,13-16H,9-12H2,1H3,(H,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202722 (US10245267, Example 68 | US10709712, Example 68 | ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(C)(=O)=O)cc1-c1ccnc(c1)N1CCOCC1 Show InChI InChI=1S/C24H25N3O4S/c1-17-6-7-20(26-24(28)19-4-3-5-21(14-19)32(2,29)30)16-22(17)18-8-9-25-23(15-18)27-10-12-31-13-11-27/h3-9,14-16H,10-13H2,1-2H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM87785 (US10245267, Example 820 | US10709712, Example 820 ...) Show SMILES Cc1ncc(NC(=O)c2cc(on2)C2CC2)cc1-c1cc2[nH]cnc2c(n1)N1CCOCC1 Show InChI InChI=1S/C23H23N7O3/c1-13-16(8-15(11-24-13)27-23(31)19-10-20(33-29-19)14-2-3-14)17-9-18-21(26-12-25-18)22(28-17)30-4-6-32-7-5-30/h8-12,14H,2-7H2,1H3,(H,25,26)(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM87803 (US10245267, Example 837 | US10709712, Example 837 ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc(N2CCOCC2)c2n(C)ncc2n1 Show InChI InChI=1S/C25H23F3N6O2/c1-15-6-7-18(30-24(35)16-4-3-5-17(12-16)25(26,27)28)13-19(15)22-31-20-14-29-33(2)21(20)23(32-22)34-8-10-36-11-9-34/h3-7,12-14H,8-11H2,1-2H3,(H,30,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM87794 (US10245267, Example 830 | US10709712, Example 830 ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1 Show InChI InChI=1S/C25H22F3N5O2/c1-15-5-6-18(30-24(34)16-3-2-4-17(13-16)25(26,27)28)14-19(15)22-31-20-7-8-29-21(20)23(32-22)33-9-11-35-12-10-33/h2-8,13-14,29H,9-12H2,1H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM87818 (US10245267, Example 848 | US10709712, Example 848 ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1cc(N2CCOCC2)c2nccn2c1 Show InChI InChI=1S/C26H24F2N4O2/c1-17-5-6-21(30-26(33)19-4-2-3-18(13-19)24(27)28)15-22(17)20-14-23(31-9-11-34-12-10-31)25-29-7-8-32(25)16-20/h2-8,13-16,24H,9-12H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM87824 (US10245267, Example 854 | US10709712, Example 854 ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1nc2CCS(=O)(=O)c2c(n1)N1CCOCC1 Show InChI InChI=1S/C25H24F2N4O4S/c1-15-5-6-18(28-25(32)17-4-2-3-16(13-17)22(26)27)14-19(15)23-29-20-7-12-36(33,34)21(20)24(30-23)31-8-10-35-11-9-31/h2-6,13-14,22H,7-12H2,1H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM86368 (US10245267, Example 659 | US10709712, Example 659 ...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C2(CC2)C#N)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1 Show InChI InChI=1S/C26H26N6O3/c1-17-3-4-19(29-24(33)18-5-8-28-23(13-18)26(16-27)6-7-26)14-20(17)21-15-22(25(34)31(2)30-21)32-9-11-35-12-10-32/h3-5,8,13-15H,6-7,9-12H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM87373 (US10245267, Example 708 | US10709712, Example 708 ...) Show SMILES CCNc1nc(cc(n1)-c1cc(NC(=O)c2ccnc(c2)C2(CC2)C#N)ccc1C)N1CCOCC1 Show InChI InChI=1S/C27H29N7O2/c1-3-29-26-32-22(16-24(33-26)34-10-12-36-13-11-34)21-15-20(5-4-18(21)2)31-25(35)19-6-9-30-23(14-19)27(17-28)7-8-27/h4-6,9,14-16H,3,7-8,10-13H2,1-2H3,(H,31,35)(H,29,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM81185 (US10245267, Example 484 | US10709712, Example 484 ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1 Show InChI InChI=1S/C25H25F2N3O3/c1-16-6-7-20(28-25(32)18-5-3-4-17(12-18)24(26)27)15-21(16)19-13-22(29(2)23(31)14-19)30-8-10-33-11-9-30/h3-7,12-15,24H,8-11H2,1-2H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM84273 (US10245267, Example 561 | US10709712, Example 561 ...) Show SMILES CCOc1nnc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)F)ccc1C Show InChI InChI=1S/C25H26F2N4O3/c1-3-34-25-22(31-9-11-33-12-10-31)15-21(29-30-25)20-14-19(8-7-16(20)2)28-24(32)18-6-4-5-17(13-18)23(26)27/h4-8,13-15,23H,3,9-12H2,1-2H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM84292 (US10245267, Example 580 | US10709712, Example 580 ...) Show SMILES Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1 Show InChI InChI=1S/C27H28F3N5O4/c1-17-2-3-19(32-25(36)23-14-18(4-7-31-23)27(28,29)30)15-21(17)22-16-24(35-8-12-38-13-9-35)26(34-33-22)39-20-5-10-37-11-6-20/h2-4,7,14-16,20H,5-6,8-13H2,1H3,(H,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM81176 (US10245267, Example 475 | US10709712, Example 475 ...) Show SMILES CCC(F)(F)c1cc(ccn1)C(=O)Nc1ccc(C)c(c1)-c1cc(N2CCOCC2)n(C)c(=O)c1 Show InChI InChI=1S/C26H28F2N4O3/c1-4-26(27,28)22-13-18(7-8-29-22)25(34)30-20-6-5-17(2)21(16-20)19-14-23(31(3)24(33)15-19)32-9-11-35-12-10-32/h5-8,13-16H,4,9-12H2,1-3H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM81177 (US10245267, Example 476 | US10709712, Example 476 ...) Show SMILES CCc1cc(ccn1)C(=O)Nc1ccc(C)c(c1)-c1cc(N2CCOCC2)n(C)c(=O)c1 Show InChI InChI=1S/C25H28N4O3/c1-4-20-13-18(7-8-26-20)25(31)27-21-6-5-17(2)22(16-21)19-14-23(28(3)24(30)15-19)29-9-11-32-12-10-29/h5-8,13-16H,4,9-12H2,1-3H3,(H,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202658 (US10245267, Example 3 | US10709712, Example 3 | US...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)N1CCOCC1)N1CCOCC1=O Show InChI InChI=1S/C27H26F3N5O4/c1-17-5-6-20(31-25(37)18-3-2-4-19(13-18)27(28,29)30)14-21(17)22-15-23(35-9-12-39-16-24(35)36)33-26(32-22)34-7-10-38-11-8-34/h2-6,13-15H,7-12,16H2,1H3,(H,31,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202656 (US10245267, Example 1 | US10709712, Example 1 | US...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-6-18(29-22(31)16-3-2-4-17(11-16)23(24,25)26)12-19(15)20-13-21(28-14-27-20)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202665 (US10245267, Example 10 | US10709712, Example 10 | ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C27H28F3N5O3/c1-18-5-6-21(31-25(36)19-3-2-4-20(15-19)27(28,29)30)16-22(18)23-17-24(34-7-11-37-12-8-34)33-26(32-23)35-9-13-38-14-10-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202800 (US10245267, Example 147 | US10709712, Example 147 ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(CC#N)c1 Show InChI InChI=1S/C26H23F3N4O3/c1-17-5-6-21(31-24(34)18-3-2-4-20(13-18)26(27,28)29)15-22(17)19-14-23(32-9-11-36-12-10-32)25(35)33(16-19)8-7-30/h2-6,13-16H,8-12H2,1H3,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202830 (US10245267, Example 177 | US10709712, Example 177 ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1 Show InChI InChI=1S/C26H27F2N3O3/c1-17-7-8-21(29-24(32)18-5-4-6-20(13-18)26(2,27)28)15-22(17)19-14-23(25(33)30(3)16-19)31-9-11-34-12-10-31/h4-8,13-16H,9-12H2,1-3H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM77771 (US10245267, Example 231 | US10709712, Example 231 ...) Show SMILES CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)F)ccc1C Show InChI InChI=1S/C26H27F2N3O3/c1-3-34-26-23(31-9-11-33-12-10-31)14-20(16-29-26)22-15-21(8-7-17(22)2)30-25(32)19-6-4-5-18(13-19)24(27)28/h4-8,13-16,24H,3,9-12H2,1-2H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM77866 (US10245267, Example 307 | US10709712, Example 307 ...) Show SMILES CN(C)c1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C Show InChI InChI=1S/C25H26F3N5O2/c1-16-21(18-12-22(23(30-14-18)32(2)3)33-7-9-35-10-8-33)13-20(15-29-16)31-24(34)17-5-4-6-19(11-17)25(26,27)28/h4-6,11-15H,7-10H2,1-3H3,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202673 (US10245267, Example 18 | US10709712, Example 18 | ...) Show SMILES CN(C)c1cncc(c1)C(=O)Nc1ccc(C)c(c1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C27H33N7O3/c1-19-4-5-21(29-26(35)20-14-22(32(2)3)18-28-17-20)15-23(19)24-16-25(33-6-10-36-11-7-33)31-27(30-24)34-8-12-37-13-9-34/h4-5,14-18H,6-13H2,1-3H3,(H,29,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM81235 (US10245267, Example 519 | US10709712, Example 519 ...) Show SMILES CCn1c(cc(cc1=O)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)ccc1C)N1CCOCC1 Show InChI InChI=1S/C26H28F2N4O3/c1-4-32-23(31-9-11-35-12-10-31)14-19(15-24(32)33)21-16-20(6-5-17(21)2)30-25(34)18-7-8-29-22(13-18)26(3,27)28/h5-8,13-16H,4,9-12H2,1-3H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202682 (US10245267, Example 38 | US10709712, Example 38 | ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)S(C)(=O)=O)N1CCOCC1 Show InChI InChI=1S/C24H23F3N4O4S/c1-15-6-7-18(28-22(32)16-4-3-5-17(12-16)24(25,26)27)13-19(15)20-14-21(31-8-10-35-11-9-31)30-23(29-20)36(2,33)34/h3-7,12-14H,8-11H2,1-2H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM87922 (US10245267, Example 951 | US10709712, Example 951 ...) Show SMILES CC(C)Oc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cncc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C26H27F3N4O3/c1-16(2)36-25-23(33-6-8-35-9-7-33)11-18(14-31-25)22-12-21(5-4-17(22)3)32-24(34)19-10-20(15-30-13-19)26(27,28)29/h4-5,10-16H,6-9H2,1-3H3,(H,32,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM88118 (US10245267, Example 1154 | US10709712, Example 115...) Show SMILES Cc1ccc(NC(=O)c2cnnc(c2)C2CC2)cc1-c1cc(OC2CCOCC2)nc(c1)N1CCOCC1 Show InChI InChI=1S/C29H33N5O4/c1-19-2-5-23(31-29(35)22-14-26(20-3-4-20)33-30-18-22)17-25(19)21-15-27(34-8-12-37-13-9-34)32-28(16-21)38-24-6-10-36-11-7-24/h2,5,14-18,20,24H,3-4,6-13H2,1H3,(H,31,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202747 (US10245267, Example 93 | US10709712, Example 93 | ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N)nc(c1)N1CCOCC1 Show InChI InChI=1S/C24H23F3N4O2/c1-15-5-6-19(29-23(32)16-3-2-4-18(11-16)24(25,26)27)14-20(15)17-12-21(28)30-22(13-17)31-7-9-33-10-8-31/h2-6,11-14H,7-10H2,1H3,(H2,28,30)(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202784 (US10245267, Example 131 | US10709712, Example 131 ...) Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1 Show InChI InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM202722 (US10245267, Example 68 | US10709712, Example 68 | ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(C)(=O)=O)cc1-c1ccnc(c1)N1CCOCC1 Show InChI InChI=1S/C24H25N3O4S/c1-17-6-7-20(26-24(28)19-4-3-5-21(14-19)32(2,29)30)16-22(17)18-8-9-25-23(15-18)27-10-12-31-13-11-27/h3-9,14-16H,10-13H2,1-2H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [1-324] (Homo sapiens (Human))	BDBM202665 (US10245267, Example 10 | US10709712, Example 10 | ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C27H28F3N5O3/c1-18-5-6-21(31-25(36)19-3-2-4-20(15-19)27(28,29)30)16-22(18)23-17-24(34-7-11-37-12-8-34)33-26(32-23)35-9-13-38-14-10-35/h2-6,15-17H,7-14H2,1H3,(H,31,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM88104 (US9694016, 1137) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccnc(c1)N1CCOCC1 Show InChI InChI=1S/C23H21F3N4O2/c1-15-2-3-18(29-22(31)17-5-6-27-20(12-17)23(24,25)26)14-19(15)16-4-7-28-21(13-16)30-8-10-32-11-9-30/h2-7,12-14H,8-11H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM88129 (US10245267, Example 1164 | US10709712, Example 116...) Show SMILES Cc1ccc(NC(=O)c2cnnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C24H24F3N5O4/c1-15-2-3-18(29-23(34)17-10-20(24(25,26)27)31-28-14-17)13-19(15)16-11-21(32-4-7-35-8-5-32)30-22(12-16)36-9-6-33/h2-3,10-14,33H,4-9H2,1H3,(H,29,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	7.5	25
NOVARTIS AG US Patent					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2x final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				US Patent US9694016 (2017) BindingDB Entry DOI: 10.7270/Q2MC8X6W
					More data for this Ligand-Target Pair

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