Compile Data Set for Download or QSAR

Found 10 hits of ic50 for UniProtKB: P15056   

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 [409-765] (Homo sapiens (Human))	BDBM185589 (US9156852, 83 | USRE47451, Example 83) Show SMILES CC(=O)c1ccc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)cc1 Show InChI InChI=1S/C25H20N6O2S/c1-13-3-8-18-17(9-10-27-24(18)30-16-6-4-15(5-7-16)14(2)32)20(13)31-25(33)19-11-34-22-21(19)28-12-29-23(22)26/h3-12H,1-2H3,(H,27,30)(H,31,33)(H2,26,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2XW4N61
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [409-765] (Homo sapiens (Human))	BDBM185585 (US9156852, 16 | USRE47451, Example 16) Show SMILES COc1ccc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)cc1 Show InChI InChI=1S/C24H20N6O2S/c1-13-3-8-17-16(9-10-26-23(17)29-14-4-6-15(32-2)7-5-14)19(13)30-24(31)18-11-33-21-20(18)27-12-28-22(21)25/h3-12H,1-2H3,(H,26,29)(H,30,31)(H2,25,27,28)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2XW4N61
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [409-765] (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	8.2	32
Bayer Pharmaceuticals Corporation					Assay Description The biochemical activity of compound was determined by incubation with Raf kinases and substrate MEK-1 in the presence of 1-10 uM ATP/ [gamma-32P] AT...				Cancer Res 64: 7099-109 (2004) Article DOI: 10.1158/0008-5472.CAN-04-1443 BindingDB Entry DOI: 10.7270/Q2H70D2J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf [409-765] (Homo sapiens (Human))	BDBM185588 (US9156852, 59 | USRE47451, Example 59) Show SMILES CN(C)Cc1cc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)ccc1Cl Show InChI InChI=1S/C26H24ClN7OS/c1-14-4-6-18-17(21(14)33-26(35)19-12-36-23-22(19)30-13-31-24(23)28)8-9-29-25(18)32-16-5-7-20(27)15(10-16)11-34(2)3/h4-10,12-13H,11H2,1-3H3,(H,29,32)(H,33,35)(H2,28,30,31)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2XW4N61
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [409-765] (Homo sapiens (Human))	BDBM185591 (US9156852, 116 | USRE47451, Example 116) Show SMILES Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1NC(=O)c1csc2c(N)ncnc12 Show InChI InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2XW4N61
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf [409-765] (Homo sapiens (Human))	BDBM185586 (US9156852, 38 | USRE47451, Example 38) Show SMILES Cc1ccc2c(Nc3cccc(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12 Show InChI InChI=1S/C23H17ClN6OS/c1-12-5-6-16-15(7-8-26-22(16)29-14-4-2-3-13(24)9-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2XW4N61
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [409-765] (Homo sapiens (Human))	BDBM185584 (US9156852, 1 | USRE47451, Example 1) Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12 Show InChI InChI=1S/C23H17ClN6OS/c1-12-2-7-16-15(8-9-26-22(16)29-14-5-3-13(24)4-6-14)18(12)30-23(31)17-10-32-20-19(17)27-11-28-21(20)25/h2-11H,1H3,(H,26,29)(H,30,31)(H2,25,27,28)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2XW4N61
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [409-765] (Homo sapiens (Human))	BDBM185587 (US9156852, 50 | USRE47451, Example 50) Show SMILES Cc1ccc2c(Nc3ccc(OC(F)F)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12 Show InChI InChI=1S/C24H18F2N6O2S/c1-12-2-7-16-15(8-9-28-22(16)31-13-3-5-14(6-4-13)34-24(25)26)18(12)32-23(33)17-10-35-20-19(17)29-11-30-21(20)27/h2-11,24H,1H3,(H,28,31)(H,32,33)(H2,27,29,30)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2XW4N61
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [409-765] (Homo sapiens (Human))	BDBM185590 (US9156852, 105 | USRE47451, Example 105) Show SMILES Cc1ccc2c(Nc3ccc(F)c(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12 Show InChI InChI=1S/C23H16ClFN6OS/c1-11-2-4-14-13(6-7-27-22(14)30-12-3-5-17(25)16(24)8-12)18(11)31-23(32)15-9-33-20-19(15)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2XW4N61
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [409-765] (Homo sapiens (Human))	BDBM50396483 (PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	344	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description The compounds prepared in Examples were tested for inhibitory activity against three subtypes of RAF, i.e., RAF1 Y340D Y341D (C-RAF), B-RAF normal ty...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2XW4N61
					More data for this Ligand-Target Pair				3D Structure (crystal)