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SMILES: Cc1ccc(cc1-c1cc(ccn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=KRNDDDCYLBZERO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 202764   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
RAF proto-oncogene serine/threonine-protein kinase [1-324] (Homo sapiens (Human))	BDBM202764 (US10245267, Example 64 | US10709712, Example 64 | ...) Show SMILES Cc1ccc(cc1-c1cc(ccn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-17(23(31)29-19-4-2-3-18(14-19)24(25,26)27)13-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.403	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM biotin tagged MEK1 kinase dead protein substrate. Reactions were performed in Greiner384 well ...				US Patent US9242969 (2016) BindingDB Entry DOI: 10.7270/Q2VT1QXT
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [1-324] (Homo sapiens (Human))	BDBM202764 (US10245267, Example 64 | US10709712, Example 64 | ...) Show SMILES Cc1ccc(cc1-c1cc(ccn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-17(23(31)29-19-4-2-3-18(14-19)24(25,26)27)13-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.850	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
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM202764 (US10245267, Example 64 | US10709712, Example 64 | ...) Show SMILES Cc1ccc(cc1-c1cc(ccn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-17(23(31)29-19-4-2-3-18(14-19)24(25,26)27)13-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	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))	BDBM202764 (US10245267, Example 64 | US10709712, Example 64 | ...) Show SMILES Cc1ccc(cc1-c1cc(ccn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-17(23(31)29-19-4-2-3-18(14-19)24(25,26)27)13-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	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 (Homo sapiens (Human))	BDBM202764 (US10245267, Example 64 | US10709712, Example 64 | ...) Show SMILES Cc1ccc(cc1-c1cc(ccn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-17(23(31)29-19-4-2-3-18(14-19)24(25,26)27)13-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)	PDB MMDB NCI pathway 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 C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...				US Patent US10709712 (2020)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM202764 (US10245267, Example 64 | US10709712, Example 64 | ...) Show SMILES Cc1ccc(cc1-c1cc(ccn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-17(23(31)29-19-4-2-3-18(14-19)24(25,26)27)13-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt 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
Bristol-Myers Squibb Company					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				Bioorg Med Chem Lett 17: 5115-20 (2007) BindingDB Entry DOI: 10.7270/Q2RB76WP
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM202764 (US10245267, Example 64 | US10709712, Example 64 | ...) Show SMILES Cc1ccc(cc1-c1cc(ccn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-17(23(31)29-19-4-2-3-18(14-19)24(25,26)27)13-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)	PDB MMDB NCI pathway 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
Bristol-Myers Squibb Company					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				Bioorg Med Chem Lett 17: 5115-20 (2007) BindingDB Entry DOI: 10.7270/Q2RB76WP
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [325-648] (Homo sapiens (Human))	BDBM202764 (US10245267, Example 64 | US10709712, Example 64 | ...) Show SMILES Cc1ccc(cc1-c1cc(ccn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-17(23(31)29-19-4-2-3-18(14-19)24(25,26)27)13-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.847	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...				US Patent US10709712 (2020)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM202764 (US10245267, Example 64 | US10709712, Example 64 | ...) Show SMILES Cc1ccc(cc1-c1cc(ccn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-17(23(31)29-19-4-2-3-18(14-19)24(25,26)27)13-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt 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 C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...				US Patent US10709712 (2020)
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [1-324] (Homo sapiens (Human))	BDBM202764 (US10245267, Example 64 | US10709712, Example 64 | ...) Show SMILES Cc1ccc(cc1-c1cc(ccn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N3O2/c1-16-5-6-17(23(31)29-19-4-2-3-18(14-19)24(25,26)27)13-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.847	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Raf and biotinylated Mek, kinase dead, were combined at 2× final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...				Bioorg Med Chem Lett 17: 5115-20 (2007) BindingDB Entry DOI: 10.7270/Q2RB76WP
					More data for this Ligand-Target Pair