Compile Data Set for Download or QSAR

Found 1155 hits Enz. Inhib. hit(s) with all data for entry = 1637   

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))	BDBM333637 (1-(4-chloro- 3- (trifluoromethyl) phenyl)- 3-(3-(6...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C24H18ClF3N4O3S/c1-34-20-10-16-19(11-21(20)35-2)29-12-30-22(16)36-15-5-3-4-13(8-15)31-23(33)32-14-6-7-18(25)17(9-14)24(26,27)28/h3-12H,1-2H3,(H2,31,32,33)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333638 (1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)c2cc1OC Show InChI InChI=1S/C23H22FN5O4S/c1-23(2,24)19-11-20(33-29-19)28-22(30)27-13-6-5-7-14(8-13)34-21-15-9-17(31-3)18(32-4)10-16(15)25-12-26-21/h5-12H,1-4H3,(H2,27,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333638 (1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)c2cc1OC Show InChI InChI=1S/C23H22FN5O4S/c1-23(2,24)19-11-20(33-29-19)28-22(30)27-13-6-5-7-14(8-13)34-21-15-9-17(31-3)18(32-4)10-16(15)25-12-26-21/h5-12H,1-4H3,(H2,27,28,30)	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	n/a	375	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333638 (1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(no4)C(C)(C)F)c3)c2cc1OC Show InChI InChI=1S/C23H22FN5O4S/c1-23(2,24)19-11-20(33-29-19)28-22(30)27-13-6-5-7-14(8-13)34-21-15-9-17(31-3)18(32-4)10-16(15)25-12-26-21/h5-12H,1-4H3,(H2,27,28,30)	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	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333639 (1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4ccc(c(F)c4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C24H18F4N4O3S/c1-34-20-10-16-19(11-21(20)35-2)29-12-30-22(16)36-15-5-3-4-13(8-15)31-23(33)32-14-6-7-17(18(25)9-14)24(26,27)28/h3-12H,1-2H3,(H2,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	375	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333639 (1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4ccc(c(F)c4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C24H18F4N4O3S/c1-34-20-10-16-19(11-21(20)35-2)29-12-30-22(16)36-15-5-3-4-13(8-15)31-23(33)32-14-6-7-17(18(25)9-14)24(26,27)28/h3-12H,1-2H3,(H2,31,32,33)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333640 (1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(CN5CCOCC5)cc(c4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C29H28F3N5O4S/c1-39-25-14-23-24(15-26(25)40-2)33-17-34-27(23)42-22-5-3-4-20(13-22)35-28(38)36-21-11-18(10-19(12-21)29(30,31)32)16-37-6-8-41-9-7-37/h3-5,10-15,17H,6-9,16H2,1-2H3,(H2,35,36,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	375	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333640 (1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(CN5CCOCC5)cc(c4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C29H28F3N5O4S/c1-39-25-14-23-24(15-26(25)40-2)33-17-34-27(23)42-22-5-3-4-20(13-22)35-28(38)36-21-11-18(10-19(12-21)29(30,31)32)16-37-6-8-41-9-7-37/h3-5,10-15,17H,6-9,16H2,1-2H3,(H2,35,36,38)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333640 (1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(CN5CCOCC5)cc(c4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C29H28F3N5O4S/c1-39-25-14-23-24(15-26(25)40-2)33-17-34-27(23)42-22-5-3-4-20(13-22)35-28(38)36-21-11-18(10-19(12-21)29(30,31)32)16-37-6-8-41-9-7-37/h3-5,10-15,17H,6-9,16H2,1-2H3,(H2,35,36,38)	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	n/a	750	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333641 (1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4ccc(c(OC)c4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C25H21F3N4O4S/c1-34-20-10-15(7-8-18(20)25(26,27)28)32-24(33)31-14-5-4-6-16(9-14)37-23-17-11-21(35-2)22(36-3)12-19(17)29-13-30-23/h4-13H,1-3H3,(H2,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333641 (1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4ccc(c(OC)c4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C25H21F3N4O4S/c1-34-20-10-15(7-8-18(20)25(26,27)28)32-24(33)31-14-5-4-6-16(9-14)37-23-17-11-21(35-2)22(36-3)12-19(17)29-13-30-23/h4-13H,1-3H3,(H2,31,32,33)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333641 (1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4ccc(c(OC)c4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C25H21F3N4O4S/c1-34-20-10-15(7-8-18(20)25(26,27)28)32-24(33)31-14-5-4-6-16(9-14)37-23-17-11-21(35-2)22(36-3)12-19(17)29-13-30-23/h4-13H,1-3H3,(H2,31,32,33)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333642 (1-[5-(1,3- difluoro-2- methylpropan- 2- yl)isoxazo...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)c2cc1OC Show InChI InChI=1S/C24H23F2N5O4S/c1-24(11-25,12-26)20-10-21(31-35-20)30-23(32)29-14-5-4-6-15(7-14)36-22-16-8-18(33-2)19(34-3)9-17(16)27-13-28-22/h4-10,13H,11-12H2,1-3H3,(H2,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333642 (1-[5-(1,3- difluoro-2- methylpropan- 2- yl)isoxazo...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)c2cc1OC Show InChI InChI=1S/C24H23F2N5O4S/c1-24(11-25,12-26)20-10-21(31-35-20)30-23(32)29-14-5-4-6-15(7-14)36-22-16-8-18(33-2)19(34-3)9-17(16)27-13-28-22/h4-10,13H,11-12H2,1-3H3,(H2,29,30,31,32)	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	n/a	375	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333642 (1-[5-(1,3- difluoro-2- methylpropan- 2- yl)isoxazo...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(CF)CF)c3)c2cc1OC Show InChI InChI=1S/C24H23F2N5O4S/c1-24(11-25,12-26)20-10-21(31-35-20)30-23(32)29-14-5-4-6-15(7-14)36-22-16-8-18(33-2)19(34-3)9-17(16)27-13-28-22/h4-10,13H,11-12H2,1-3H3,(H2,29,30,31,32)	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	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333643 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H21F3N6O3S/c1-38-21-12-19-20(13-22(21)39-2)31-15-32-25(19)40-18-10-6-7-16(11-18)33-26(37)34-24-14-23(27(28,29)30)35-36(24)17-8-4-3-5-9-17/h3-15H,1-2H3,(H2,33,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333643 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H21F3N6O3S/c1-38-21-12-19-20(13-22(21)39-2)31-15-32-25(19)40-18-10-6-7-16(11-18)33-26(37)34-24-14-23(27(28,29)30)35-36(24)17-8-4-3-5-9-17/h3-15H,1-2H3,(H2,33,34,37)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333643 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H21F3N6O3S/c1-38-21-12-19-20(13-22(21)39-2)31-15-32-25(19)40-18-10-6-7-16(11-18)33-26(37)34-24-14-23(27(28,29)30)35-36(24)17-8-4-3-5-9-17/h3-15H,1-2H3,(H2,33,34,37)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333644 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4C)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C22H19F3N6O3S/c1-31-19(10-18(30-31)22(23,24)25)29-21(32)28-12-5-4-6-13(7-12)35-20-14-8-16(33-2)17(34-3)9-15(14)26-11-27-20/h4-11H,1-3H3,(H2,28,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333644 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4C)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C22H19F3N6O3S/c1-31-19(10-18(30-31)22(23,24)25)29-21(32)28-12-5-4-6-13(7-12)35-20-14-8-16(33-2)17(34-3)9-15(14)26-11-27-20/h4-11H,1-3H3,(H2,28,29,32)	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	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333644 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4C)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C22H19F3N6O3S/c1-31-19(10-18(30-31)22(23,24)25)29-21(32)28-12-5-4-6-13(7-12)35-20-14-8-16(33-2)17(34-3)9-15(14)26-11-27-20/h4-11H,1-3H3,(H2,28,29,32)	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	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333645 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)NC4=CC(=[N](C)N4)C(F)(F)F)c3)c2cc1OC |t:19,21| Show InChI InChI=1S/C22H20F3N6O3S/c1-31-18(22(23,24)25)10-19(30-31)29-21(32)28-12-5-4-6-13(7-12)35-20-14-8-16(33-2)17(34-3)9-15(14)26-11-27-20/h4-11,30H,1-3H3,(H2,28,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333645 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)NC4=CC(=[N](C)N4)C(F)(F)F)c3)c2cc1OC |t:19,21| Show InChI InChI=1S/C22H20F3N6O3S/c1-31-18(22(23,24)25)10-19(30-31)29-21(32)28-12-5-4-6-13(7-12)35-20-14-8-16(33-2)17(34-3)9-15(14)26-11-27-20/h4-11,30H,1-3H3,(H2,28,29,32)	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	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333645 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)NC4=CC(=[N](C)N4)C(F)(F)F)c3)c2cc1OC |t:19,21| Show InChI InChI=1S/C22H20F3N6O3S/c1-31-18(22(23,24)25)10-19(30-31)29-21(32)28-12-5-4-6-13(7-12)35-20-14-8-16(33-2)17(34-3)9-15(14)26-11-27-20/h4-11,30H,1-3H3,(H2,28,29,32)	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	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333646 (US9730937, Example 195 | ethyl 2-(3- tert-butyl-5-...) Show SMILES CCOC(=O)Cn1nc(cc1NC(=O)Nc1cccc(Sc2ncnc3cc(OC)c(OC)cc23)c1)C(C)(C)C Show InChI InChI=1S/C28H32N6O5S/c1-7-39-25(35)15-34-24(14-23(33-34)28(2,3)4)32-27(36)31-17-9-8-10-18(11-17)40-26-19-12-21(37-5)22(38-6)13-20(19)29-16-30-26/h8-14,16H,7,15H2,1-6H3,(H2,31,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	375	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333646 (US9730937, Example 195 | ethyl 2-(3- tert-butyl-5-...) Show SMILES CCOC(=O)Cn1nc(cc1NC(=O)Nc1cccc(Sc2ncnc3cc(OC)c(OC)cc23)c1)C(C)(C)C Show InChI InChI=1S/C28H32N6O5S/c1-7-39-25(35)15-34-24(14-23(33-34)28(2,3)4)32-27(36)31-17-9-8-10-18(11-17)40-26-19-12-21(37-5)22(38-6)13-20(19)29-16-30-26/h8-14,16H,7,15H2,1-6H3,(H2,31,32,36)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333646 (US9730937, Example 195 | ethyl 2-(3- tert-butyl-5-...) Show SMILES CCOC(=O)Cn1nc(cc1NC(=O)Nc1cccc(Sc2ncnc3cc(OC)c(OC)cc23)c1)C(C)(C)C Show InChI InChI=1S/C28H32N6O5S/c1-7-39-25(35)15-34-24(14-23(33-34)28(2,3)4)32-27(36)31-17-9-8-10-18(11-17)40-26-19-12-21(37-5)22(38-6)13-20(19)29-16-30-26/h8-14,16H,7,15H2,1-6H3,(H2,31,32,36)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333647 (1-[3-(1,3- difluoro-2- methylpropan- 2-yl)-1- phen...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(CF)CF)c3)c2cc1OC Show InChI InChI=1S/C30H28F2N6O3S/c1-30(16-31,17-32)26-15-27(38(37-26)20-9-5-4-6-10-20)36-29(39)35-19-8-7-11-21(12-19)42-28-22-13-24(40-2)25(41-3)14-23(22)33-18-34-28/h4-15,18H,16-17H2,1-3H3,(H2,35,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333647 (1-[3-(1,3- difluoro-2- methylpropan- 2-yl)-1- phen...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(CF)CF)c3)c2cc1OC Show InChI InChI=1S/C30H28F2N6O3S/c1-30(16-31,17-32)26-15-27(38(37-26)20-9-5-4-6-10-20)36-29(39)35-19-8-7-11-21(12-19)42-28-22-13-24(40-2)25(41-3)14-23(22)33-18-34-28/h4-15,18H,16-17H2,1-3H3,(H2,35,36,39)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333647 (1-[3-(1,3- difluoro-2- methylpropan- 2-yl)-1- phen...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(CF)CF)c3)c2cc1OC Show InChI InChI=1S/C30H28F2N6O3S/c1-30(16-31,17-32)26-15-27(38(37-26)20-9-5-4-6-10-20)36-29(39)35-19-8-7-11-21(12-19)42-28-22-13-24(40-2)25(41-3)14-23(22)33-18-34-28/h4-15,18H,16-17H2,1-3H3,(H2,35,36,39)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333648 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES CCCOC(C)(C)c1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)n(n1)-c1ccccc1 Show InChI InChI=1S/C32H34N6O4S/c1-6-15-42-32(2,3)28-19-29(38(37-28)22-12-8-7-9-13-22)36-31(39)35-21-11-10-14-23(16-21)43-30-24-17-26(40-4)27(41-5)18-25(24)33-20-34-30/h7-14,16-20H,6,15H2,1-5H3,(H2,35,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	375	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333648 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES CCCOC(C)(C)c1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)n(n1)-c1ccccc1 Show InChI InChI=1S/C32H34N6O4S/c1-6-15-42-32(2,3)28-19-29(38(37-28)22-12-8-7-9-13-22)36-31(39)35-21-11-10-14-23(16-21)43-30-24-17-26(40-4)27(41-5)18-25(24)33-20-34-30/h7-14,16-20H,6,15H2,1-5H3,(H2,35,36,39)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333648 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES CCCOC(C)(C)c1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)n(n1)-c1ccccc1 Show InChI InChI=1S/C32H34N6O4S/c1-6-15-42-32(2,3)28-19-29(38(37-28)22-12-8-7-9-13-22)36-31(39)35-21-11-10-14-23(16-21)43-30-24-17-26(40-4)27(41-5)18-25(24)33-20-34-30/h7-14,16-20H,6,15H2,1-5H3,(H2,35,36,39)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333649 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H20F4N6O3S/c1-39-21-11-19-20(12-22(21)40-2)32-14-33-25(19)41-18-5-3-4-16(10-18)34-26(38)35-24-13-23(27(29,30)31)36-37(24)17-8-6-15(28)7-9-17/h3-14H,1-2H3,(H2,34,35,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333649 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H20F4N6O3S/c1-39-21-11-19-20(12-22(21)40-2)32-14-33-25(19)41-18-5-3-4-16(10-18)34-26(38)35-24-13-23(27(29,30)31)36-37(24)17-8-6-15(28)7-9-17/h3-14H,1-2H3,(H2,34,35,38)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333649 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H20F4N6O3S/c1-39-21-11-19-20(12-22(21)40-2)32-14-33-25(19)41-18-5-3-4-16(10-18)34-26(38)35-24-13-23(27(29,30)31)36-37(24)17-8-6-15(28)7-9-17/h3-14H,1-2H3,(H2,34,35,38)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333649 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H20F4N6O3S/c1-39-21-11-19-20(12-22(21)40-2)32-14-33-25(19)41-18-5-3-4-16(10-18)34-26(38)35-24-13-23(27(29,30)31)36-37(24)17-8-6-15(28)7-9-17/h3-14H,1-2H3,(H2,34,35,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333649 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H20F4N6O3S/c1-39-21-11-19-20(12-22(21)40-2)32-14-33-25(19)41-18-5-3-4-16(10-18)34-26(38)35-24-13-23(27(29,30)31)36-37(24)17-8-6-15(28)7-9-17/h3-14H,1-2H3,(H2,34,35,38)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333649 (1-[3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C27H20F4N6O3S/c1-39-21-11-19-20(12-22(21)40-2)32-14-33-25(19)41-18-5-3-4-16(10-18)34-26(38)35-24-13-23(27(29,30)31)36-37(24)17-8-6-15(28)7-9-17/h3-14H,1-2H3,(H2,34,35,38)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333651 (1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COCCOc1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H25F3N4O5S/c1-36-7-8-39-19-10-16(27(28,29)30)9-18(11-19)34-26(35)33-17-5-4-6-20(12-17)40-25-21-13-23(37-2)24(38-3)14-22(21)31-15-32-25/h4-6,9-15H,7-8H2,1-3H3,(H2,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333651 (1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COCCOc1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H25F3N4O5S/c1-36-7-8-39-19-10-16(27(28,29)30)9-18(11-19)34-26(35)33-17-5-4-6-20(12-17)40-25-21-13-23(37-2)24(38-3)14-22(21)31-15-32-25/h4-6,9-15H,7-8H2,1-3H3,(H2,33,34,35)	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	n/a	750	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333651 (1-(3-(6,7- dimethoxy- quinazolin- 4- ylthio)phenyl...) Show SMILES COCCOc1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H25F3N4O5S/c1-36-7-8-39-19-10-16(27(28,29)30)9-18(11-19)34-26(35)33-17-5-4-6-20(12-17)40-25-21-13-23(37-2)24(38-3)14-22(21)31-15-32-25/h4-6,9-15H,7-8H2,1-3H3,(H2,33,34,35)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333652 (1-(5- cyclopentyl- isoxazol- 3-yl)- 3-(3-(6,7- dim...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC Show InChI InChI=1S/C25H25N5O4S/c1-32-21-11-18-19(12-22(21)33-2)26-14-27-24(18)35-17-9-5-8-16(10-17)28-25(31)29-23-13-20(34-30-23)15-6-3-4-7-15/h5,8-15H,3-4,6-7H2,1-2H3,(H2,28,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333652 (1-(5- cyclopentyl- isoxazol- 3-yl)- 3-(3-(6,7- dim...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC Show InChI InChI=1S/C25H25N5O4S/c1-32-21-11-18-19(12-22(21)33-2)26-14-27-24(18)35-17-9-5-8-16(10-17)28-25(31)29-23-13-20(34-30-23)15-6-3-4-7-15/h5,8-15H,3-4,6-7H2,1-2H3,(H2,28,29,30,31)	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	n/a	375	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333652 (1-(5- cyclopentyl- isoxazol- 3-yl)- 3-(3-(6,7- dim...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C4CCCC4)c3)c2cc1OC Show InChI InChI=1S/C25H25N5O4S/c1-32-21-11-18-19(12-22(21)33-2)26-14-27-24(18)35-17-9-5-8-16(10-17)28-25(31)29-23-13-20(34-30-23)15-6-3-4-7-15/h5,8-15H,3-4,6-7H2,1-2H3,(H2,28,29,30,31)	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	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333653 (1-(3-tert- butylisoxazol- 5-yl)-3-(3- (6-methoxy- ...) Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)C)c3)c2cc1OC Show InChI InChI=1S/C26H29N5O6/c1-26(2,3)22-14-23(37-31-22)30-25(32)29-16-7-6-8-17(11-16)36-24-18-12-20(34-5)21(35-10-9-33-4)13-19(18)27-15-28-24/h6-8,11-15H,9-10H2,1-5H3,(H2,29,30,32)	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	n/a	375	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333653 (1-(3-tert- butylisoxazol- 5-yl)-3-(3- (6-methoxy- ...) Show SMILES COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(C)C)c3)c2cc1OC Show InChI InChI=1S/C26H29N5O6/c1-26(2,3)22-14-23(37-31-22)30-25(32)29-16-7-6-8-17(11-16)36-24-18-12-20(34-5)21(35-10-9-33-4)13-19(18)27-15-28-24/h6-8,11-15H,9-10H2,1-5H3,(H2,29,30,32)	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	n/a	375	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM333654 (1-(3-(6- Methoxy-7- (2- methoxyethoxy) quinazolin-...) Show SMILES COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)-c4ccccc4)c3)c2cc1OC Show InChI InChI=1S/C28H25N5O5S/c1-35-11-12-37-25-15-22-21(14-24(25)36-2)27(30-17-29-22)39-20-10-6-9-19(13-20)31-28(34)32-26-16-23(38-33-26)18-7-4-3-5-8-18/h3-10,13-17H,11-12H2,1-2H3,(H2,31,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM333654 (1-(3-(6- Methoxy-7- (2- methoxyethoxy) quinazolin-...) Show SMILES COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)-c4ccccc4)c3)c2cc1OC Show InChI InChI=1S/C28H25N5O5S/c1-35-11-12-37-25-15-22-21(14-24(25)36-2)27(30-17-29-22)39-20-10-6-9-19(13-20)31-28(34)32-26-16-23(38-33-26)18-7-4-3-5-8-18/h3-10,13-17H,11-12H2,1-2H3,(H2,31,32,33,34)	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	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM333507 (1-(5-tert- butylisoxazol- 3-yl)-3-(3- (6- methoxy-...) Show SMILES COc1ccc2ncnc(Sc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2c1 Show InChI InChI=1S/C23H23N5O3S/c1-23(2,3)19-12-20(28-31-19)27-22(29)26-14-6-5-7-16(10-14)32-21-17-11-15(30-4)8-9-18(17)24-13-25-21/h5-13H,1-4H3,(H2,26,27,28,29)	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	n/a	750	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1155 total )  |  Next  |  Last  >>

Jump to: