null

SMILES: Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(ncn1)N1CCOCC1

InChI Key: InChIKey=FYGPVPWZKUOBTA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 202657   

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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM202657 (US10709712, Example 2 | US9242969, 2 | US9694016, ...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C25H26N6O2/c1-17-4-5-19(30-24(32)18-6-7-27-22(12-18)25(2,3)15-26)13-20(17)21-14-23(29-16-28-21)31-8-10-33-11-9-31/h4-7,12-14,16H,8-11H2,1-3H3,(H,30,32)	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	6.27	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 [Y340E,Y341E] (Homo sapiens (Human))	BDBM202657 (US10709712, Example 2 | US9242969, 2 | US9694016, ...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C25H26N6O2/c1-17-4-5-19(30-24(32)18-6-7-27-22(12-18)25(2,3)15-26)13-20(17)21-14-23(29-16-28-21)31-8-10-33-11-9-31/h4-7,12-14,16H,8-11H2,1-3H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.42	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))	BDBM202657 (US10709712, Example 2 | US9242969, 2 | US9694016, ...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C25H26N6O2/c1-17-4-5-19(30-24(32)18-6-7-27-22(12-18)25(2,3)15-26)13-20(17)21-14-23(29-16-28-21)31-8-10-33-11-9-31/h4-7,12-14,16H,8-11H2,1-3H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.95	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 [Y340E,Y341E] (Homo sapiens (Human))	BDBM202657 (US10709712, Example 2 | US9242969, 2 | US9694016, ...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C25H26N6O2/c1-17-4-5-19(30-24(32)18-6-7-27-22(12-18)25(2,3)15-26)13-20(17)21-14-23(29-16-28-21)31-8-10-33-11-9-31/h4-7,12-14,16H,8-11H2,1-3H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.42	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))	BDBM202657 (US10709712, Example 2 | US9242969, 2 | US9694016, ...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C25H26N6O2/c1-17-4-5-19(30-24(32)18-6-7-27-22(12-18)25(2,3)15-26)13-20(17)21-14-23(29-16-28-21)31-8-10-33-11-9-31/h4-7,12-14,16H,8-11H2,1-3H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.95	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))	BDBM202657 (US10709712, Example 2 | US9242969, 2 | US9694016, ...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C25H26N6O2/c1-17-4-5-19(30-24(32)18-6-7-27-22(12-18)25(2,3)15-26)13-20(17)21-14-23(29-16-28-21)31-8-10-33-11-9-31/h4-7,12-14,16H,8-11H2,1-3H3,(H,30,32)	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	1.80	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 [Y340E,Y341E] (Homo sapiens (Human))	BDBM202657 (US10709712, Example 2 | US9242969, 2 | US9694016, ...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C25H26N6O2/c1-17-4-5-19(30-24(32)18-6-7-27-22(12-18)25(2,3)15-26)13-20(17)21-14-23(29-16-28-21)31-8-10-33-11-9-31/h4-7,12-14,16H,8-11H2,1-3H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	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))	BDBM202657 (US10709712, Example 2 | US9242969, 2 | US9694016, ...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C25H26N6O2/c1-17-4-5-19(30-24(32)18-6-7-27-22(12-18)25(2,3)15-26)13-20(17)21-14-23(29-16-28-21)31-8-10-33-11-9-31/h4-7,12-14,16H,8-11H2,1-3H3,(H,30,32)	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	1.42	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 [325-648] (Homo sapiens (Human))	BDBM202657 (US10709712, Example 2 | US9242969, 2 | US9694016, ...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C25H26N6O2/c1-17-4-5-19(30-24(32)18-6-7-27-22(12-18)25(2,3)15-26)13-20(17)21-14-23(29-16-28-21)31-8-10-33-11-9-31/h4-7,12-14,16H,8-11H2,1-3H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.95	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))	BDBM202657 (US10709712, Example 2 | US9242969, 2 | US9694016, ...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C25H26N6O2/c1-17-4-5-19(30-24(32)18-6-7-27-22(12-18)25(2,3)15-26)13-20(17)21-14-23(29-16-28-21)31-8-10-33-11-9-31/h4-7,12-14,16H,8-11H2,1-3H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	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))	BDBM202657 (US10709712, Example 2 | US9242969, 2 | US9694016, ...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C25H26N6O2/c1-17-4-5-19(30-24(32)18-6-7-27-22(12-18)25(2,3)15-26)13-20(17)21-14-23(29-16-28-21)31-8-10-33-11-9-31/h4-7,12-14,16H,8-11H2,1-3H3,(H,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	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