Compile Data Set for Download or QSAR

Found 150 hits with Last Name = 'hastings' and Initial = 'g'   

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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496941 (CHEMBL3236463) Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(Nc2ccc3ncn(C)c(=O)c3c2)c1C#N Show InChI InChI=1S/C19H18ClN5O3S/c1-3-8-29(27,28)24-17-7-5-15(20)18(14(17)10-21)23-12-4-6-16-13(9-12)19(26)25(2)11-22-16/h4-7,9,11,23-24H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496943 (CHEMBL3236471) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N Show InChI InChI=1S/C19H17FN4O4S/c1-3-8-29(26,27)23-17-7-5-15(20)18(14(17)10-21)28-12-4-6-16-13(9-12)19(25)24(2)11-22-16/h4-7,9,11,23H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496954 (CHEMBL3236470) Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N Show InChI InChI=1S/C19H17ClN4O4S/c1-3-8-29(26,27)23-17-7-5-15(20)18(14(17)10-21)28-12-4-6-16-13(9-12)19(25)24(2)11-22-16/h4-7,9,11,23H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496946 (CHEMBL3236464) Show SMILES CCCS(=O)(=O)Nc1cccc(Nc2ccc3ncn(C)c(=O)c3c2)c1C#N Show InChI InChI=1S/C19H19N5O3S/c1-3-9-28(26,27)23-18-6-4-5-17(15(18)11-20)22-13-7-8-16-14(10-13)19(25)24(2)12-21-16/h4-8,10,12,22-23H,3,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496948 (CHEMBL3236472) Show SMILES CCCS(=O)(=O)Nc1cccc(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N Show InChI InChI=1S/C19H18N4O4S/c1-3-9-28(25,26)22-17-5-4-6-18(15(17)11-20)27-13-7-8-16-14(10-13)19(24)23(2)12-21-16/h4-8,10,12,22H,3,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485033 (CHEMBL2023502) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cnn(C)c3)nc2n(C)c1=O |(13.75,-37.45,;12.42,-36.67,;11.08,-37.45,;9.76,-36.68,;8.98,-35.34,;10.52,-35.34,;8.42,-37.46,;7.09,-36.69,;7.08,-35.14,;5.74,-34.38,;4.42,-35.14,;3.08,-34.38,;4.42,-36.69,;5.75,-37.46,;5.75,-39,;3.08,-37.46,;1.76,-36.68,;.43,-37.45,;-.9,-36.67,;-2.23,-37.44,;-2.23,-38.98,;-3.57,-39.75,;-4.82,-38.87,;-4.86,-37.33,;-6.33,-36.88,;-7.21,-38.15,;-8.75,-38.18,;-6.28,-39.37,;-.91,-39.74,;.42,-38.98,;1.76,-39.75,;1.76,-41.29,;3.09,-38.99,;4.42,-39.75,)| Show InChI InChI=1S/C21H21F2N7O3S/c1-4-7-34(32,33)28-16-6-5-15(22)17(18(16)23)14-8-12-9-24-21(26-13-10-25-29(2)11-13)27-19(12)30(3)20(14)31/h5-6,8-11,28H,4,7H2,1-3H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...				Bioorg Med Chem Lett 22: 3387-91 (2012) Article DOI: 10.1016/j.bmcl.2012.04.015 BindingDB Entry DOI: 10.7270/Q24J0HZ4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485028 (CHEMBL2023501) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cccnc3)nc2n(C)c1=O |(39.5,-24.7,;38.16,-23.92,;36.83,-24.7,;35.5,-23.93,;34.72,-22.59,;36.26,-22.59,;34.17,-24.71,;32.84,-23.94,;32.83,-22.39,;31.49,-21.63,;30.16,-22.39,;28.83,-21.63,;30.16,-23.94,;31.5,-24.71,;31.5,-26.25,;28.83,-24.71,;27.5,-23.93,;26.17,-24.7,;24.84,-23.92,;23.52,-24.69,;23.52,-26.23,;22.18,-27,;20.85,-26.23,;19.53,-27,;18.19,-26.24,;18.19,-24.7,;19.52,-23.92,;20.86,-24.69,;24.84,-26.99,;26.16,-26.23,;27.5,-27,;27.5,-28.54,;28.83,-26.24,;30.17,-27,)| Show InChI InChI=1S/C22H20F2N6O3S/c1-3-9-34(32,33)29-17-7-6-16(23)18(19(17)24)15-10-13-11-26-22(27-14-5-4-8-25-12-14)28-20(13)30(2)21(15)31/h4-8,10-12,29H,3,9H2,1-2H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...				Bioorg Med Chem Lett 22: 3387-91 (2012) Article DOI: 10.1016/j.bmcl.2012.04.015 BindingDB Entry DOI: 10.7270/Q24J0HZ4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485015 (CHEMBL2023500) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(14.17,-24.55,;12.84,-23.77,;11.5,-24.55,;10.18,-23.78,;9.4,-22.44,;10.94,-22.44,;8.85,-24.56,;7.52,-23.79,;7.51,-22.24,;6.17,-21.48,;4.84,-22.24,;3.51,-21.48,;4.84,-23.79,;6.18,-24.56,;6.18,-26.1,;3.51,-24.56,;2.18,-23.78,;.85,-24.55,;-.47,-23.77,;-1.8,-24.54,;-1.8,-26.08,;-3.13,-26.85,;-4.47,-26.08,;-4.46,-24.54,;-5.79,-23.77,;-7.13,-24.54,;-7.13,-26.09,;-5.79,-26.85,;-.48,-26.84,;.84,-26.08,;2.18,-26.85,;2.18,-28.39,;3.51,-26.09,;4.85,-26.85,)| Show InChI InChI=1S/C23H21F2N5O3S/c1-3-11-34(32,33)29-18-10-9-17(24)19(20(18)25)16-12-14-13-26-23(27-15-7-5-4-6-8-15)28-21(14)30(2)22(16)31/h4-10,12-13,29H,3,11H2,1-2H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...				Bioorg Med Chem Lett 22: 3387-91 (2012) Article DOI: 10.1016/j.bmcl.2012.04.015 BindingDB Entry DOI: 10.7270/Q24J0HZ4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50430022 (CHEMBL2144069) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1 Show InChI InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50484695 (CHEMBL1939073) Show SMILES FCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl Show InChI InChI=1S/C19H18ClF2N5O3S/c20-16-14(27-31(29,30)7-1-6-21)5-4-13(22)15(16)19(28)24-11-8-12-17(10-2-3-10)25-26-18(12)23-9-11/h4-5,8-10,27H,1-3,6-7H2,(H,24,28)(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant				Bioorg Med Chem Lett 22: 912-5 (2012) Article DOI: 10.1016/j.bmcl.2011.12.030 BindingDB Entry DOI: 10.7270/Q2MP5648
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485033 (CHEMBL2023502) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cnn(C)c3)nc2n(C)c1=O |(13.75,-37.45,;12.42,-36.67,;11.08,-37.45,;9.76,-36.68,;8.98,-35.34,;10.52,-35.34,;8.42,-37.46,;7.09,-36.69,;7.08,-35.14,;5.74,-34.38,;4.42,-35.14,;3.08,-34.38,;4.42,-36.69,;5.75,-37.46,;5.75,-39,;3.08,-37.46,;1.76,-36.68,;.43,-37.45,;-.9,-36.67,;-2.23,-37.44,;-2.23,-38.98,;-3.57,-39.75,;-4.82,-38.87,;-4.86,-37.33,;-6.33,-36.88,;-7.21,-38.15,;-8.75,-38.18,;-6.28,-39.37,;-.91,-39.74,;.42,-38.98,;1.76,-39.75,;1.76,-41.29,;3.09,-38.99,;4.42,-39.75,)| Show InChI InChI=1S/C21H21F2N7O3S/c1-4-7-34(32,33)28-16-6-5-15(22)17(18(16)23)14-8-12-9-24-21(26-13-10-25-29(2)11-13)27-19(12)30(3)20(14)31/h5-6,8-11,28H,4,7H2,1-3H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr				Bioorg Med Chem Lett 22: 3387-91 (2012) Article DOI: 10.1016/j.bmcl.2012.04.015 BindingDB Entry DOI: 10.7270/Q24J0HZ4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50484231 (CHEMBL1822068) Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F Show InChI InChI=1S/C17H17ClFN5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant				Bioorg Med Chem Lett 22: 912-5 (2012) Article DOI: 10.1016/j.bmcl.2011.12.030 BindingDB Entry DOI: 10.7270/Q2MP5648
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496940 (CHEMBL3236459) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(-c4cnn(C)c4)c(=O)c3c2)c1Cl Show InChI InChI=1S/C21H20ClFN6O3S/c1-3-8-33(31,32)27-18-7-5-16(23)20(19(18)22)26-13-4-6-17-15(9-13)21(30)29(12-24-17)14-10-25-28(2)11-14/h4-7,9-12,26-27H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50484693 (CHEMBL1939072) Show SMILES CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl Show InChI InChI=1S/C20H21ClFN5O3S/c1-10(2)9-31(29,30)27-15-6-5-14(22)16(17(15)21)20(28)24-12-7-13-18(11-3-4-11)25-26-19(13)23-8-12/h5-8,10-11,27H,3-4,9H2,1-2H3,(H,24,28)(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant				Bioorg Med Chem Lett 22: 912-5 (2012) Article DOI: 10.1016/j.bmcl.2011.12.030 BindingDB Entry DOI: 10.7270/Q2MP5648
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496939 (CHEMBL3236198) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2)c1Cl Show InChI InChI=1S/C18H18ClFN4O3S/c1-3-8-28(26,27)23-15-7-5-13(20)17(16(15)19)22-11-4-6-14-12(9-11)18(25)24(2)10-21-14/h4-7,9-10,22-23H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50484697 (CHEMBL1939068) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1Cl Show InChI InChI=1S/C17H17ClFN5O4S/c1-3-6-29(26,27)24-12-5-4-11(19)13(14(12)18)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant				Bioorg Med Chem Lett 22: 912-5 (2012) Article DOI: 10.1016/j.bmcl.2011.12.030 BindingDB Entry DOI: 10.7270/Q2MP5648
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50484694 (CHEMBL1939070) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1F Show InChI InChI=1S/C19H19F2N5O3S/c1-2-7-30(28,29)26-14-6-5-13(20)15(16(14)21)19(27)23-11-8-12-17(10-3-4-10)24-25-18(12)22-9-11/h5-6,8-10,26H,2-4,7H2,1H3,(H,23,27)(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant				Bioorg Med Chem Lett 22: 912-5 (2012) Article DOI: 10.1016/j.bmcl.2011.12.030 BindingDB Entry DOI: 10.7270/Q2MP5648
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485028 (CHEMBL2023501) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cccnc3)nc2n(C)c1=O |(39.5,-24.7,;38.16,-23.92,;36.83,-24.7,;35.5,-23.93,;34.72,-22.59,;36.26,-22.59,;34.17,-24.71,;32.84,-23.94,;32.83,-22.39,;31.49,-21.63,;30.16,-22.39,;28.83,-21.63,;30.16,-23.94,;31.5,-24.71,;31.5,-26.25,;28.83,-24.71,;27.5,-23.93,;26.17,-24.7,;24.84,-23.92,;23.52,-24.69,;23.52,-26.23,;22.18,-27,;20.85,-26.23,;19.53,-27,;18.19,-26.24,;18.19,-24.7,;19.52,-23.92,;20.86,-24.69,;24.84,-26.99,;26.16,-26.23,;27.5,-27,;27.5,-28.54,;28.83,-26.24,;30.17,-27,)| Show InChI InChI=1S/C22H20F2N6O3S/c1-3-9-34(32,33)29-17-7-6-16(23)18(19(17)24)15-10-13-11-26-22(27-14-5-4-8-25-12-14)28-20(13)30(2)21(15)31/h4-8,10-12,29H,3,9H2,1-2H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr				Bioorg Med Chem Lett 22: 3387-91 (2012) Article DOI: 10.1016/j.bmcl.2012.04.015 BindingDB Entry DOI: 10.7270/Q24J0HZ4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496943 (CHEMBL3236471) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N Show InChI InChI=1S/C19H17FN4O4S/c1-3-8-29(26,27)23-17-7-5-15(20)18(14(17)10-21)28-12-4-6-16-13(9-12)19(25)24(2)11-22-16/h4-7,9,11,23H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485024 (CHEMBL2023342) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NCC3CC3)nc2n(C)c1=O |(56.32,-.34,;54.99,.43,;53.65,-.34,;52.32,.43,;51.54,1.77,;53.08,1.77,;51,-.35,;49.66,.42,;49.66,1.97,;48.32,2.73,;46.99,1.97,;45.65,2.73,;46.99,.42,;48.32,-.35,;48.32,-1.89,;45.65,-.35,;44.33,.43,;42.99,-.34,;41.67,.44,;40.34,-.33,;40.34,-1.87,;39.01,-2.64,;37.67,-1.87,;36.34,-2.64,;34.8,-2.65,;35.57,-3.98,;41.66,-2.63,;42.98,-1.87,;44.32,-2.64,;44.32,-4.18,;45.65,-1.88,;46.99,-2.64,)| Show InChI InChI=1S/C21H23F2N5O3S/c1-3-8-32(30,31)27-16-7-6-15(22)17(18(16)23)14-9-13-11-25-21(24-10-12-4-5-12)26-19(13)28(2)20(14)29/h6-7,9,11-12,27H,3-5,8,10H2,1-2H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...				Bioorg Med Chem Lett 22: 3387-91 (2012) Article DOI: 10.1016/j.bmcl.2012.04.015 BindingDB Entry DOI: 10.7270/Q24J0HZ4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496937 (CHEMBL3233047) Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(N(C)c2ccc3ncn(C)c(=O)c3c2)c1F Show InChI InChI=1S/C19H20ClFN4O3S/c1-4-9-29(27,28)23-16-8-6-14(20)18(17(16)21)25(3)12-5-7-15-13(10-12)19(26)24(2)11-22-15/h5-8,10-11,23H,4,9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50484696 (CHEMBL1939071) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl Show InChI InChI=1S/C19H19ClFN5O3S/c1-2-7-30(28,29)26-14-6-5-13(21)15(16(14)20)19(27)23-11-8-12-17(10-3-4-10)24-25-18(12)22-9-11/h5-6,8-10,26H,2-4,7H2,1H3,(H,23,27)(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant				Bioorg Med Chem Lett 22: 912-5 (2012) Article DOI: 10.1016/j.bmcl.2011.12.030 BindingDB Entry DOI: 10.7270/Q2MP5648
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496944 (CHEMBL3236193) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncncc3c2)c1Cl Show InChI InChI=1S/C17H16ClFN4O2S/c1-2-7-26(24,25)23-15-6-4-13(19)17(16(15)18)22-12-3-5-14-11(8-12)9-20-10-21-14/h3-6,8-10,22-23H,2,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50484234 (CHEMBL1822067) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F Show InChI InChI=1S/C17H17F2N5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant				Bioorg Med Chem Lett 22: 912-5 (2012) Article DOI: 10.1016/j.bmcl.2011.12.030 BindingDB Entry DOI: 10.7270/Q2MP5648
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50484234 (CHEMBL1822067) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F Show InChI InChI=1S/C17H17F2N5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-raf V600E mutant				Bioorg Med Chem Lett 22: 1165-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.092 BindingDB Entry DOI: 10.7270/Q2RB77GQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485015 (CHEMBL2023500) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(14.17,-24.55,;12.84,-23.77,;11.5,-24.55,;10.18,-23.78,;9.4,-22.44,;10.94,-22.44,;8.85,-24.56,;7.52,-23.79,;7.51,-22.24,;6.17,-21.48,;4.84,-22.24,;3.51,-21.48,;4.84,-23.79,;6.18,-24.56,;6.18,-26.1,;3.51,-24.56,;2.18,-23.78,;.85,-24.55,;-.47,-23.77,;-1.8,-24.54,;-1.8,-26.08,;-3.13,-26.85,;-4.47,-26.08,;-4.46,-24.54,;-5.79,-23.77,;-7.13,-24.54,;-7.13,-26.09,;-5.79,-26.85,;-.48,-26.84,;.84,-26.08,;2.18,-26.85,;2.18,-28.39,;3.51,-26.09,;4.85,-26.85,)| Show InChI InChI=1S/C23H21F2N5O3S/c1-3-11-34(32,33)29-18-10-9-17(24)19(20(18)25)16-12-14-13-26-23(27-15-7-5-4-6-8-15)28-21(14)30(2)22(16)31/h4-10,12-13,29H,3,11H2,1-2H3,(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr				Bioorg Med Chem Lett 22: 3387-91 (2012) Article DOI: 10.1016/j.bmcl.2012.04.015 BindingDB Entry DOI: 10.7270/Q24J0HZ4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496946 (CHEMBL3236464) Show SMILES CCCS(=O)(=O)Nc1cccc(Nc2ccc3ncn(C)c(=O)c3c2)c1C#N Show InChI InChI=1S/C19H19N5O3S/c1-3-9-28(26,27)23-18-6-4-5-17(15(18)11-20)22-13-7-8-16-14(10-13)19(25)24(2)12-21-16/h4-8,10,12,22-23H,3,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485025 (CHEMBL2023497) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NCCO)nc2n(C)c1=O |(10.92,-12.49,;9.59,-11.72,;8.25,-12.5,;6.93,-11.73,;6.15,-10.38,;7.69,-10.38,;5.59,-12.51,;4.27,-11.73,;4.26,-10.18,;2.92,-9.42,;1.59,-10.19,;.26,-9.42,;1.59,-11.73,;2.93,-12.51,;2.93,-14.05,;.25,-12.5,;-1.07,-11.72,;-2.4,-12.49,;-3.73,-11.72,;-5.05,-12.49,;-5.05,-14.03,;-6.39,-14.79,;-7.72,-14.03,;-9.06,-14.79,;-10.39,-14.03,;-3.73,-14.79,;-2.41,-14.03,;-1.07,-14.8,;-1.07,-16.34,;.26,-14.03,;1.59,-14.8,)| Show InChI InChI=1S/C19H21F2N5O4S/c1-3-8-31(29,30)25-14-5-4-13(20)15(16(14)21)12-9-11-10-23-19(22-6-7-27)24-17(11)26(2)18(12)28/h4-5,9-10,25,27H,3,6-8H2,1-2H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...				Bioorg Med Chem Lett 22: 3387-91 (2012) Article DOI: 10.1016/j.bmcl.2012.04.015 BindingDB Entry DOI: 10.7270/Q24J0HZ4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485026 (CHEMBL2023498) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NCCCO)nc2n(C)c1=O |(34.55,-12.88,;33.22,-12.1,;31.89,-12.88,;30.56,-12.11,;29.78,-10.76,;31.32,-10.76,;29.23,-12.89,;27.89,-12.12,;27.89,-10.56,;26.55,-9.8,;25.22,-10.57,;23.88,-9.8,;25.22,-12.12,;26.55,-12.89,;26.55,-14.43,;23.88,-12.88,;22.57,-12.1,;21.23,-12.88,;19.91,-12.1,;18.57,-12.87,;18.57,-14.41,;17.24,-15.18,;15.9,-14.41,;14.57,-15.18,;13.23,-14.41,;11.9,-15.18,;19.9,-15.17,;21.22,-14.41,;22.56,-15.18,;22.56,-16.72,;23.89,-14.42,;25.22,-15.18,)| Show InChI InChI=1S/C20H23F2N5O4S/c1-3-9-32(30,31)26-15-6-5-14(21)16(17(15)22)13-10-12-11-24-20(23-7-4-8-28)25-18(12)27(2)19(13)29/h5-6,10-11,26,28H,3-4,7-9H2,1-2H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...				Bioorg Med Chem Lett 22: 3387-91 (2012) Article DOI: 10.1016/j.bmcl.2012.04.015 BindingDB Entry DOI: 10.7270/Q24J0HZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485103 (CHEMBL2030242) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2ccccc2)c1F Show InChI InChI=1S/C22H19F2N5O3S/c1-2-10-33(31,32)28-17-9-8-16(23)20(21(17)24)22(30)26-15-12-25-19-11-18(27-29(19)13-15)14-6-4-3-5-7-14/h3-9,11-13,28H,2,10H2,1H3,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-raf V600E mutant				Bioorg Med Chem Lett 22: 1165-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.092 BindingDB Entry DOI: 10.7270/Q2RB77GQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496948 (CHEMBL3236472) Show SMILES CCCS(=O)(=O)Nc1cccc(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N Show InChI InChI=1S/C19H18N4O4S/c1-3-9-28(25,26)22-17-5-4-6-18(15(17)11-20)27-13-7-8-16-14(10-13)19(24)23(2)12-21-16/h4-8,10,12,22H,3,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496942 (CHEMBL3236467) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(N(C)c2ccc3ncn(C)c(=O)c3c2)c1Cl Show InChI InChI=1S/C19H20ClFN4O3S/c1-4-9-29(27,28)23-16-8-6-14(21)18(17(16)20)25(3)12-5-7-15-13(10-12)19(26)24(2)11-22-15/h5-8,10-11,23H,4,9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485030 (CHEMBL2023341) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NC)nc2n(C)c1=O |(31.39,-.05,;30.06,.72,;28.72,-.05,;27.4,.71,;26.62,2.06,;28.16,2.06,;26.07,-.06,;24.73,.71,;24.73,2.26,;23.39,3.02,;22.06,2.25,;20.73,3.02,;22.06,.71,;23.4,-.07,;23.39,-1.61,;20.72,-.06,;19.4,.72,;18.07,-.05,;16.75,.72,;15.42,-.04,;15.42,-1.58,;14.08,-2.35,;12.75,-1.59,;16.74,-2.34,;18.06,-1.59,;19.4,-2.36,;19.4,-3.9,;20.73,-1.59,;22.06,-2.36,)| Show InChI InChI=1S/C18H19F2N5O3S/c1-4-7-29(27,28)24-13-6-5-12(19)14(15(13)20)11-8-10-9-22-18(21-2)23-16(10)25(3)17(11)26/h5-6,8-9,24H,4,7H2,1-3H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...				Bioorg Med Chem Lett 22: 3387-91 (2012) Article DOI: 10.1016/j.bmcl.2012.04.015 BindingDB Entry DOI: 10.7270/Q24J0HZ4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485023 (CHEMBL2023340) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(N)nc2n(C)c1=O |(9.34,-.05,;8.01,.72,;6.67,-.05,;5.35,.71,;4.57,2.06,;6.11,2.06,;4.01,-.06,;2.68,.71,;2.67,2.26,;1.34,3.02,;.01,2.25,;-1.32,3.02,;.01,.71,;1.34,-.07,;1.34,-1.61,;-1.32,-.06,;-2.65,.72,;-3.98,-.05,;-5.31,.72,;-6.64,-.04,;-6.64,-1.58,;-7.97,-2.35,;-5.31,-2.34,;-3.99,-1.59,;-2.65,-2.36,;-2.65,-3.9,;-1.32,-1.59,;.02,-2.36,)| Show InChI InChI=1S/C17H17F2N5O3S/c1-3-6-28(26,27)23-12-5-4-11(18)13(14(12)19)10-7-9-8-21-17(20)22-15(9)24(2)16(10)25/h4-5,7-8,23H,3,6H2,1-2H3,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...				Bioorg Med Chem Lett 22: 3387-91 (2012) Article DOI: 10.1016/j.bmcl.2012.04.015 BindingDB Entry DOI: 10.7270/Q24J0HZ4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485096 (CHEMBL2030244) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2ccc(F)cc2)c1F Show InChI InChI=1S/C22H18F3N5O3S/c1-2-9-34(32,33)29-17-8-7-16(24)20(21(17)25)22(31)27-15-11-26-19-10-18(28-30(19)12-15)13-3-5-14(23)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-raf V600E mutant				Bioorg Med Chem Lett 22: 1165-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.092 BindingDB Entry DOI: 10.7270/Q2RB77GQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496952 (CHEMBL3236466) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(N(C)c2ccc3ncn(C)c(=O)c3c2)c1F Show InChI InChI=1S/C19H20F2N4O3S/c1-4-9-29(27,28)23-16-8-6-14(20)18(17(16)21)25(3)12-5-7-15-13(10-12)19(26)24(2)11-22-15/h5-8,10-11,23H,4,9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496935 (CHEMBL3236196) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncnc(NC)c3c2)c1Cl Show InChI InChI=1S/C18H19ClFN5O2S/c1-3-8-28(26,27)25-15-7-5-13(20)17(16(15)19)24-11-4-6-14-12(9-11)18(21-2)23-10-22-14/h4-7,9-10,24-25H,3,8H2,1-2H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496936 (CHEMBL3236462) Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(Nc2ccc3ncn(C)c(=O)c3c2)c1F Show InChI InChI=1S/C18H18ClFN4O3S/c1-3-8-28(26,27)23-15-7-5-13(19)17(16(15)20)22-11-4-6-14-12(9-11)18(25)24(2)10-21-14/h4-7,9-10,22-23H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485108 (CHEMBL2030246) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2cnn(C)c2)c1F Show InChI InChI=1S/C20H19F2N7O3S/c1-3-6-33(31,32)27-15-5-4-14(21)18(19(15)22)20(30)25-13-9-23-17-7-16(26-29(17)11-13)12-8-24-28(2)10-12/h4-5,7-11,27H,3,6H2,1-2H3,(H,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-raf V600E mutant				Bioorg Med Chem Lett 22: 1165-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.092 BindingDB Entry DOI: 10.7270/Q2RB77GQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485097 (CHEMBL2030245) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2cccnc2)c1F Show InChI InChI=1S/C21H18F2N6O3S/c1-2-8-33(31,32)28-16-6-5-15(22)19(20(16)23)21(30)26-14-11-25-18-9-17(27-29(18)12-14)13-4-3-7-24-10-13/h3-7,9-12,28H,2,8H2,1H3,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-raf V600E mutant				Bioorg Med Chem Lett 22: 1165-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.092 BindingDB Entry DOI: 10.7270/Q2RB77GQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485029 (CHEMBL2023334) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnccc2n(CCc2ccccc2)c1=O |(8.36,-21.46,;7.02,-20.69,;5.69,-21.46,;4.37,-20.7,;3.58,-19.35,;5.12,-19.35,;3.03,-21.47,;1.7,-20.7,;1.69,-19.15,;.35,-18.39,;-.98,-19.16,;-2.31,-18.39,;-.98,-20.7,;.36,-21.47,;.36,-23.02,;-2.31,-21.47,;-3.64,-20.69,;-4.97,-21.46,;-6.29,-20.69,;-7.62,-21.45,;-7.62,-22.99,;-6.3,-23.76,;-4.98,-22.99,;-3.64,-23.77,;-3.64,-25.31,;-2.3,-26.08,;-2.3,-27.62,;-3.64,-28.39,;-3.64,-29.93,;-2.3,-30.7,;-.97,-29.92,;-.97,-28.38,;-2.31,-23,;-.97,-23.77,)| Show InChI InChI=1S/C25H23F2N3O3S/c1-2-14-34(32,33)29-21-9-8-20(26)23(24(21)27)19-15-18-16-28-12-10-22(18)30(25(19)31)13-11-17-6-4-3-5-7-17/h3-10,12,15-16,29H,2,11,13-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...				Bioorg Med Chem Lett 22: 3387-91 (2012) Article DOI: 10.1016/j.bmcl.2012.04.015 BindingDB Entry DOI: 10.7270/Q24J0HZ4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50484692 (CHEMBL1939069) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C(C)C)c3c2)c1F Show InChI InChI=1S/C19H21F2N5O3S/c1-4-7-30(28,29)26-14-6-5-13(20)15(16(14)21)19(27)23-11-8-12-17(10(2)3)24-25-18(12)22-9-11/h5-6,8-10,26H,4,7H2,1-3H3,(H,23,27)(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant				Bioorg Med Chem Lett 22: 912-5 (2012) Article DOI: 10.1016/j.bmcl.2011.12.030 BindingDB Entry DOI: 10.7270/Q2MP5648
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485027 (CHEMBL2023499) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NC3CCOCC3)nc2n(C)c1=O |(59.79,-12.06,;58.46,-11.29,;57.12,-12.06,;55.8,-11.3,;55.02,-9.95,;56.56,-9.95,;54.46,-12.07,;53.14,-11.3,;53.13,-9.75,;51.79,-8.99,;50.46,-9.76,;49.13,-8.99,;50.46,-11.3,;51.8,-12.08,;51.8,-13.62,;49.12,-12.07,;47.8,-11.29,;46.47,-12.06,;45.14,-11.29,;43.82,-12.05,;43.82,-13.59,;42.48,-14.36,;41.15,-13.6,;41.15,-12.06,;39.83,-11.29,;38.49,-12.05,;38.48,-13.6,;39.82,-14.37,;45.14,-14.35,;46.46,-13.6,;47.8,-14.37,;47.8,-15.91,;49.13,-13.6,;50.46,-14.37,)| Show InChI InChI=1S/C22H25F2N5O4S/c1-3-10-34(31,32)28-17-5-4-16(23)18(19(17)24)15-11-13-12-25-22(26-14-6-8-33-9-7-14)27-20(13)29(2)21(15)30/h4-5,11-12,14,28H,3,6-10H2,1-2H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...				Bioorg Med Chem Lett 22: 3387-91 (2012) Article DOI: 10.1016/j.bmcl.2012.04.015 BindingDB Entry DOI: 10.7270/Q24J0HZ4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496954 (CHEMBL3236470) Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N Show InChI InChI=1S/C19H17ClN4O4S/c1-3-8-29(26,27)23-17-7-5-15(20)18(14(17)10-21)28-12-4-6-16-13(9-12)19(25)24(2)11-22-16/h4-7,9,11,23H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496941 (CHEMBL3236463) Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(Nc2ccc3ncn(C)c(=O)c3c2)c1C#N Show InChI InChI=1S/C19H18ClN5O3S/c1-3-8-29(27,28)24-17-7-5-15(20)18(14(17)10-21)23-12-4-6-16-13(9-12)19(26)25(2)11-22-16/h4-7,9,11,23-24H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496938 (CHEMBL3236195) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncnc(OC)c3c2)c1Cl Show InChI InChI=1S/C18H18ClFN4O3S/c1-3-8-28(25,26)24-15-7-5-13(20)17(16(15)19)23-11-4-6-14-12(9-11)18(27-2)22-10-21-14/h4-7,9-10,23-24H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485103 (CHEMBL2030242) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2ccccc2)c1F Show InChI InChI=1S/C22H19F2N5O3S/c1-2-10-33(31,32)28-17-9-8-16(23)20(21(17)24)22(30)26-15-12-25-19-11-18(27-29(19)13-15)14-6-4-3-5-7-14/h3-9,11-13,28H,2,10H2,1H3,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of B-raf V600E mutant-mediated Erk phosphorylation in human Malme3 cells				Bioorg Med Chem Lett 22: 1165-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.092 BindingDB Entry DOI: 10.7270/Q2RB77GQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496933 (CHEMBL3236460) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(Cc4ccccc4)c(=O)c3c2)c1Cl Show InChI InChI=1S/C24H22ClFN4O3S/c1-2-12-34(32,33)29-21-11-9-19(26)23(22(21)25)28-17-8-10-20-18(13-17)24(31)30(15-27-20)14-16-6-4-3-5-7-16/h3-11,13,15,28-29H,2,12,14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant (unknown origin)				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50484693 (CHEMBL1939072) Show SMILES CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl Show InChI InChI=1S/C20H21ClFN5O3S/c1-10(2)9-31(29,30)27-15-6-5-14(22)16(17(15)21)20(28)24-12-7-13-18(11-3-4-11)25-26-19(13)23-8-12/h5-8,10-11,27H,3-4,9H2,1-2H3,(H,24,28)(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells				Bioorg Med Chem Lett 22: 912-5 (2012) Article DOI: 10.1016/j.bmcl.2011.12.030 BindingDB Entry DOI: 10.7270/Q2MP5648
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50496940 (CHEMBL3236459) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(-c4cnn(C)c4)c(=O)c3c2)c1Cl Show InChI InChI=1S/C21H20ClFN6O3S/c1-3-8-33(31,32)27-18-7-5-16(23)20(19(18)22)26-13-4-6-17-15(9-13)21(30)29(12-24-17)14-10-25-28(2)11-14/h4-7,9-12,26-27H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation				Bioorg Med Chem Lett 24: 1923-7 (2014) Article DOI: 10.1016/j.bmcl.2014.03.007 BindingDB Entry DOI: 10.7270/Q2Q24368
					More data for this Ligand-Target Pair

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