Compile Data Set for Download or QSAR

Found 7392 hits for UniProtKB: P04049   

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
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50557772 (CHEMBL4775998) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1-c1ccc2cc(N)ncc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50580084 (CHEMBL5075174) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50580083 (CHEMBL5094268) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1NC(=O)c1cccc2c(N)ncnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50580082 (CHEMBL5079215) Show SMILES CN(C(=O)Nc1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C)c1cc(N)ncn1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50580080 (CHEMBL5090624) Show SMILES COc1n[nH]c2ncc(NC(=O)c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)cc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50557775 (CHEMBL4758903) Show SMILES Cc1cc(F)c(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1-c1ccc2c(cnn(C)c2=O)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50557773 (CHEMBL4778772) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1-c1ccc2c(cnn(C)c2=O)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50580081 (CHEMBL5094514) Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50557774 (CHEMBL4776565) Show SMILES Cc1cc(F)c(cc1-c1ccc2c(cnn(C)c2=O)c1)C(=O)NCCCC(C)(C)C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50096279 (CHEMBL3577124) Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50557770 (CHEMBL4780060) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50096279 (CHEMBL3577124) Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50557770 (CHEMBL4780060) Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02085 BindingDB Entry DOI: 10.7270/Q2GT5S13
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50557776 (CHEMBL4778419) Show SMILES Cc1cc(F)c(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1-c1cnc2c(cnn(C)c2=O)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50557771 (CHEMBL4740241) Show SMILES CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(=O)n(C)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00063 BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM35327 (pyridylpurine aminoisoquinoline, 1) Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ncnc2nc[nH]c12 Show InChI InChI=1S/C26H19ClN8/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of C-Raf				J Med Chem 55: 7332-41 (2012) Article DOI: 10.1021/jm300613w BindingDB Entry DOI: 10.7270/Q29K4CC8
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25628 (2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...) Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,18,24H,2,4,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of C-Raf				J Med Chem 55: 7332-41 (2012) Article DOI: 10.1021/jm300613w BindingDB Entry DOI: 10.7270/Q29K4CC8
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25391 (CHEMBL200622 | SB-590885 | SB590885 | [2-(4-{4-[(1...) Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1 Show InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of C-Raf				J Med Chem 55: 7332-41 (2012) Article DOI: 10.1021/jm300613w BindingDB Entry DOI: 10.7270/Q29K4CC8
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25617 (N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of C-Raf				J Med Chem 55: 7332-41 (2012) Article DOI: 10.1021/jm300613w BindingDB Entry DOI: 10.7270/Q29K4CC8
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427363 (CHEMBL2326002) Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl |r| Show InChI InChI=1S/C20H24ClFN6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-13(21)9-14(22)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of c-Raf (unknown origin)				J Med Chem 56: 1799-810 (2013) Article DOI: 10.1021/jm301465a BindingDB Entry DOI: 10.7270/Q2M046R2
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50341519 ((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...) Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r| Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of C-RAF				J Med Chem 54: 2341-50 (2011) Article DOI: 10.1021/jm101499u BindingDB Entry DOI: 10.7270/Q2KH0NPW
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50463479 (CHEMBL4249925) Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1 Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of RAFc (unknown origin)				Bioorg Med Chem Lett 28: 2622-2626 (2018) Article DOI: 10.1016/j.bmcl.2018.06.040 BindingDB Entry DOI: 10.7270/Q2ZC85HX
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50463484 (CHEMBL4248525) Show SMILES CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1 Show InChI InChI=1S/C26H30N6O2S/c1-31-10-12-32(13-11-31)9-4-14-34-20-6-2-5-19(15-20)16-24(33)30-26-29-23(18-35-26)22-17-28-25-21(22)7-3-8-27-25/h2-3,5-8,15,17-18H,4,9-14,16H2,1H3,(H,27,28)(H,29,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of RAFc (unknown origin)				Bioorg Med Chem Lett 28: 2622-2626 (2018) Article DOI: 10.1016/j.bmcl.2018.06.040 BindingDB Entry DOI: 10.7270/Q2ZC85HX
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410256 ((rac)-N-(3-(1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,...) Show SMILES CO[C@@H]1C[C@H]2COCCN2c2cc(ccc12)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)cnc1C |r| Show InChI InChI=1S/C27H28F2N4O3/c1-16-22(12-19(14-31-16)32-26(34)18-6-7-30-25(11-18)27(2,28)29)17-4-5-21-23(10-17)33-8-9-36-15-20(33)13-24(21)35-3/h4-7,10-12,14,20,24H,8-9,13,15H2,1-3H3,(H,32,34)/t20-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410350 (US10377770, Example 110) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2C(=O)CC3COCCN3c2c1 Show InChI InChI=1S/C25H21F3N4O3/c1-14-2-3-17(31-24(34)15-4-5-29-22(9-15)25(26,27)28)10-19(14)16-8-20-23(30-12-16)21(33)11-18-13-35-7-6-32(18)20/h2-5,8-10,12,18H,6-7,11,13H2,1H3,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410342 (N-(3-((4aR,6R)-6-Hydroxy-1,2,4,4a,5,6-hexahydro-[1...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2[C@H](O)C[C@@H]3COCCN3c2c1 |r| Show InChI InChI=1S/C25H23F3N4O3/c1-14-2-3-17(31-24(34)15-4-5-29-22(9-15)25(26,27)28)10-19(14)16-8-20-23(30-12-16)21(33)11-18-13-35-7-6-32(18)20/h2-5,8-10,12,18,21,33H,6-7,11,13H2,1H3,(H,31,34)/t18-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410277 ((rac)-N-(3-(6-hydroxy-6-methyl-1,2,4,4a,5,6-hexahy...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2c(c1)N1CCOCC1C[C@@]2(C)O |r| Show InChI InChI=1S/C26H25F3N4O3/c1-15-3-4-18(32-24(34)16-5-6-30-22(10-16)26(27,28)29)11-20(15)17-9-21-23(31-13-17)25(2,35)12-19-14-36-8-7-33(19)21/h3-6,9-11,13,19,35H,7-8,12,14H2,1-2H3,(H,32,34)/t19?,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410384 (US10377770, Example 144) Show SMILES Cc1ccc(NC(=O)c2cncc(c2)C(F)(F)F)cc1-c1cnc2C(O)CC3COCCN3c2c1 Show InChI InChI=1S/C25H23F3N4O3/c1-14-2-3-18(31-24(34)16-6-17(12-29-10-16)25(26,27)28)8-20(14)15-7-21-23(30-11-15)22(33)9-19-13-35-5-4-32(19)21/h2-3,6-8,10-12,19,22,33H,4-5,9,13H2,1H3,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410356 (US10377770, Example 116 | rac-trans-2-(1,1-Difluor...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2CC(CO)C3COCCN3c2c1 Show InChI InChI=1S/C27H28F2N4O3/c1-16-3-4-20(32-26(35)17-5-6-30-25(11-17)27(2,28)29)12-21(16)18-10-23-22(31-13-18)9-19(14-34)24-15-36-8-7-33(23)24/h3-6,10-13,19,24,34H,7-9,14-15H2,1-2H3,(H,32,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410352 (US10377770, Example 112) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2NC(=O)C3COCCN3c2c1 Show InChI InChI=1S/C24H20F3N5O3/c1-13-2-3-16(30-22(33)14-4-5-28-20(9-14)24(25,26)27)10-17(13)15-8-18-21(29-11-15)31-23(34)19-12-35-7-6-32(18)19/h2-5,8-11,19H,6-7,12H2,1H3,(H,30,33)(H,29,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410387 (US10377770, Example 147) Show SMILES Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cnc2C(O)CC3COCCN3c2c1 Show InChI InChI=1S/C25H23F3N4O3/c1-14-2-3-17(31-24(34)20-9-16(4-5-29-20)25(26,27)28)10-19(14)15-8-21-23(30-12-15)22(33)11-18-13-35-7-6-32(18)21/h2-5,8-10,12,18,22,33H,6-7,11,13H2,1H3,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410381 (US10377770, Example 141) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)F)cc1-c1cnc2C(O)CC3COCCN3c2c1 Show InChI InChI=1S/C27H29FN4O3/c1-16-4-5-19(31-26(34)17-6-7-29-24(11-17)27(2,3)28)12-21(16)18-10-22-25(30-14-18)23(33)13-20-15-35-9-8-32(20)22/h4-7,10-12,14,20,23,33H,8-9,13,15H2,1-3H3,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410363 (US10377770, Example 123 | rac-trans-N-(3-(5-(Hydro...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2C[C@H](CO)C3COCCN3c2c1 |r| Show InChI InChI=1S/C26H25F3N4O3/c1-15-2-3-19(32-25(35)16-4-5-30-24(10-16)26(27,28)29)11-20(15)17-9-22-21(31-12-17)8-18(13-34)23-14-36-7-6-33(22)23/h2-5,9-12,18,23,34H,6-8,13-14H2,1H3,(H,32,35)/t18-,23?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410362 (US10377770, Example 122 | rac-trans-N-(3-(5-(Hydro...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2C[C@@H](CO)C3COCCN3c2c1 |r| Show InChI InChI=1S/C26H25F3N4O3/c1-15-2-3-19(32-25(35)16-4-5-30-24(10-16)26(27,28)29)11-20(15)17-9-22-21(31-12-17)8-18(13-34)23-14-36-7-6-33(22)23/h2-5,9-12,18,23,34H,6-8,13-14H2,1H3,(H,32,35)/t18-,23?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410357 (2-(1,1-Difluoroethyl)-N-(3-((4aR,5R)-5-(hydroxymet...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2C[C@@H](CO)[C@@H]3COCCN3c2c1 |r| Show InChI InChI=1S/C27H28F2N4O3/c1-16-3-4-20(32-26(35)17-5-6-30-25(11-17)27(2,28)29)12-21(16)18-10-23-22(31-13-18)9-19(14-34)24-15-36-8-7-33(23)24/h3-6,10-13,19,24,34H,7-9,14-15H2,1-2H3,(H,32,35)/t19-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410351 (US10377770, Example 111) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2c(c1)N1CCOCC1CC2(F)F Show InChI InChI=1S/C25H21F5N4O2/c1-14-2-3-17(33-23(35)15-4-5-31-21(9-15)25(28,29)30)10-19(14)16-8-20-22(32-12-16)24(26,27)11-18-13-36-7-6-34(18)20/h2-5,8-10,12,18H,6-7,11,13H2,1H3,(H,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410358 (2-(1,1-Difluoroethyl)-N-(3-((4aR,5R)-5-(hydroxymet...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2C[C@H](CO)[C@H]3COCCN3c2c1 |r| Show InChI InChI=1S/C27H28F2N4O3/c1-16-3-4-20(32-26(35)17-5-6-30-25(11-17)27(2,28)29)12-21(16)18-10-23-22(31-13-18)9-19(14-34)24-15-36-8-7-33(23)24/h3-6,10-13,19,24,34H,7-9,14-15H2,1-2H3,(H,32,35)/t19-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410393 (US10377770, Example 153) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2CC3(COC3)C3COCCN3c2c1 Show InChI InChI=1S/C27H25F3N4O3/c1-16-2-3-19(33-25(35)17-4-5-31-23(9-17)27(28,29)30)10-20(16)18-8-22-21(32-12-18)11-26(14-37-15-26)24-13-36-7-6-34(22)24/h2-5,8-10,12,24H,6-7,11,13-15H2,1H3,(H,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410231 ((trans)-2-(1,1-difluoroethyl)-N-(3-(6-hydroxy-1,2,...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1ccc2[C@@H](O)C[C@H]3COCCN3c2c1 |r| Show InChI InChI=1S/C27H27F2N3O3/c1-16-3-5-19(31-26(34)18-7-8-30-25(12-18)27(2,28)29)13-22(16)17-4-6-21-23(11-17)32-9-10-35-15-20(32)14-24(21)33/h3-8,11-13,20,24,33H,9-10,14-15H2,1-2H3,(H,31,34)/t20-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410306 (2-(1,1-difluoroethyl)-N-(3-(5-(hydroxymethyl)-1,2,...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2C[C@H](CO)[C@@H]3COCCN3c2c1 |r| Show InChI InChI=1S/C27H26F3N3O3/c1-16-2-5-21(32-26(35)19-6-7-31-25(12-19)27(28,29)30)13-22(16)17-3-4-18-10-20(14-34)24-15-36-9-8-33(24)23(18)11-17/h2-7,11-13,20,24,34H,8-10,14-15H2,1H3,(H,32,35)/t20-,24+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410349 (US10377770, Example 109) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2[C@@H](O)C[C@H]3COCCN3c2c1 |r| Show InChI InChI=1S/C26H26F2N4O3/c1-15-3-4-18(31-25(34)16-5-6-29-23(10-16)26(2,27)28)11-20(15)17-9-21-24(30-13-17)22(33)12-19-14-35-8-7-32(19)21/h3-6,9-11,13,19,22,33H,7-8,12,14H2,1-2H3,(H,31,34)/t19-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410293 (N-(3-(5,5-bis(hydroxymethyl)-1,2,4,4a,5,6-hexahydr...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1ccc2CC(CO)(CO)[C@@H]3COCCN3c2c1 |r| Show InChI InChI=1S/C29H31F2N3O4/c1-18-3-6-22(33-27(37)20-7-8-32-25(12-20)28(2,30)31)13-23(18)19-4-5-21-14-29(16-35,17-36)26-15-38-10-9-34(26)24(21)11-19/h3-8,11-13,26,35-36H,9-10,14-17H2,1-2H3,(H,33,37)/t26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410207 ((trans)-N-(3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2[C@@H](O)C[C@H]3COCCN3c2c1 |r| Show InChI InChI=1S/C26H24F3N3O3/c1-15-2-4-18(31-25(34)17-6-7-30-24(11-17)26(27,28)29)12-21(15)16-3-5-20-22(10-16)32-8-9-35-14-19(32)13-23(20)33/h2-7,10-12,19,23,33H,8-9,13-14H2,1H3,(H,31,34)/t19-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410399 (US10377770, Example 159) Show SMILES Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cnc2CC(CO)(CO)C3COCCN3c2c1 Show InChI InChI=1S/C27H27F3N4O4/c1-16-2-3-19(33-25(37)21-9-18(4-5-31-21)27(28,29)30)10-20(16)17-8-23-22(32-12-17)11-26(14-35,15-36)24-13-38-7-6-34(23)24/h2-5,8-10,12,24,35-36H,6-7,11,13-15H2,1H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410223 (US10377770, Example 12) Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1-c1ccc2C(O)CC3COCCN3c2c1 Show InChI InChI=1S/C29H30N4O3/c1-18-25(19-7-8-24-26(12-19)33-9-10-36-16-23(33)14-27(24)34)13-22(15-31-18)32-28(35)20-5-4-6-21(11-20)29(2,3)17-30/h4-8,11-13,15,23,27,34H,9-10,14,16H2,1-3H3,(H,32,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410281 (US10377770, Example 43 | US10377770, Example 44) Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc2c(c1)N1CCOCC1CC2(C)O Show InChI InChI=1S/C26H25F3N4O3/c1-15-21(10-19(13-30-15)32-24(34)16-4-3-5-18(8-16)26(27,28)29)17-9-22-23(31-12-17)25(2,35)11-20-14-36-7-6-33(20)22/h3-5,8-10,12-13,20,35H,6-7,11,14H2,1-2H3,(H,32,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410274 ((rac)-(cis)-N-(3-(6-hydroxy-1,2,4,4a,5,6-hexahydro...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2C(O)CC3COCCN3c2c1 Show InChI InChI=1S/C25H23F3N4O3/c1-14-2-3-17(31-24(34)15-4-5-29-22(9-15)25(26,27)28)10-19(14)16-8-20-23(30-12-16)21(33)11-18-13-35-7-6-32(18)20/h2-5,8-10,12,18,21,33H,6-7,11,13H2,1H3,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410268 ((trans)-N-(3-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,...) Show SMILES COC1CC2COCCN2c2cc(cnc12)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)ccc1C Show InChI InChI=1S/C27H28F2N4O3/c1-16-4-5-19(32-26(34)17-6-7-30-24(11-17)27(2,28)29)12-21(16)18-10-22-25(31-14-18)23(35-3)13-20-15-36-9-8-33(20)22/h4-7,10-12,14,20,23H,8-9,13,15H2,1-3H3,(H,32,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410353 (US10377770, Example 113) Show SMILES CCN1C(=O)C2COCCN2c2cc(cnc12)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C26H24F3N5O3/c1-3-33-23-20(34-8-9-37-14-21(34)25(33)36)10-17(13-31-23)19-12-18(5-4-15(19)2)32-24(35)16-6-7-30-22(11-16)26(27,28)29/h4-7,10-13,21H,3,8-9,14H2,1-2H3,(H,32,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase [Y340E,Y341E] (Homo sapiens (Human))	BDBM410383 (US10377770, Example 143) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)F)cc1-c1cnc2[C@@H](O)C[C@H]3COCCN3c2c1 |r| Show InChI InChI=1S/C27H29FN4O3/c1-16-4-5-19(31-26(34)17-6-7-29-24(11-17)27(2,3)28)12-21(16)18-10-22-25(30-14-18)23(33)13-20-15-35-9-8-32(20)22/h4-7,10-12,14,20,23,33H,8-9,13,15H2,1-3H3,(H,31,34)/t20-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...				US Patent US10377770 (2019) BindingDB Entry DOI: 10.7270/Q25X2C9T
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 7392 total )  |  Next  |  Last  >>

Jump to: