Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'davies' and Initial = 'lc'   

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
Carboxypeptidase G2 (Pseudomonas aeruginosa)	BDBM50171504 ((S)-2-{4-[Bis-(2-chloro-ethyl)-amino]-2,3,5,6-tetr...) Show SMILES OC(=O)CC[C@H](NC(=O)c1c(F)c(F)c(N(CCCl)CCCl)c(F)c1F)C(O)=O Show InChI InChI=1S/C16H16Cl2F4N2O5/c17-3-5-24(6-4-18)14-12(21)10(19)9(11(20)13(14)22)15(27)23-7(16(28)29)1-2-8(25)26/h7H,1-6H2,(H,23,27)(H,25,26)(H,28,29)/t7-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.27E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against carboxypeptidase G2 from pseudomonas RS16				J Med Chem 48: 5321-8 (2005) Article DOI: 10.1021/jm0502182 BindingDB Entry DOI: 10.7270/Q2DJ5F5C
					More data for this Ligand-Target Pair
Carboxypeptidase G2 (Pseudomonas aeruginosa)	BDBM50171496 ((S)-2-{4-[Bis-(2-iodo-ethyl)-amino]-2,3,5,6-tetraf...) Show SMILES OC(=O)CC[C@H](NC(=O)c1c(F)c(F)c(N(CCI)CCI)c(F)c1F)C(O)=O Show InChI InChI=1S/C16H16F4I2N2O5/c17-10-9(15(27)23-7(16(28)29)1-2-8(25)26)11(18)13(20)14(12(10)19)24(5-3-21)6-4-22/h7H,1-6H2,(H,23,27)(H,25,26)(H,28,29)/t7-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.76E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against carboxypeptidase G2 from pseudomonas RS16				J Med Chem 48: 5321-8 (2005) Article DOI: 10.1021/jm0502182 BindingDB Entry DOI: 10.7270/Q2DJ5F5C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180334 (2-(3,4-Methylenedioxyphenylamino)-6-(3-acetamidoph...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C19H16N4O3/c1-12(24)21-14-4-2-3-13(7-14)16-9-20-10-19(23-16)22-15-5-6-17-18(8-15)26-11-25-17/h2-10H,11H2,1H3,(H,21,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against human B-RAF				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25616 (2,6-Disubstituted Pyrazine, 79 | N-{4-[(6-{[3-(1,3...) Show SMILES CC(=O)Nc1ccc(Oc2cncc(Nc3cccc(c3)-c3cnco3)n2)c2ccccc12 Show InChI InChI=1S/C25H19N5O3/c1-16(31)28-21-9-10-22(20-8-3-2-7-19(20)21)33-25-14-26-13-24(30-25)29-18-6-4-5-17(11-18)23-12-27-15-32-23/h2-15H,1H3,(H,28,31)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25612 (2,6-Disubstituted Pyrazine, 70 | N-[5-({6-[(3,4,5-...) Show SMILES COc1cc(Nc2cncc(Oc3cccc4c(NC(C)=O)cccc34)n2)cc(OC)c1OC Show InChI InChI=1S/C25H24N4O5/c1-15(30)27-19-9-5-8-18-17(19)7-6-10-20(18)34-24-14-26-13-23(29-24)28-16-11-21(31-2)25(33-4)22(12-16)32-3/h5-14H,1-4H3,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180359 (2-(3-Oxo-1,3-dihydroisobenzofuran-5-ylamino)-6-(3-...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(Nc2ccc3COC(=O)c3c2)n1 Show InChI InChI=1S/C20H16N4O3/c1-12(25)22-15-4-2-3-13(7-15)18-9-21-10-19(24-18)23-16-6-5-14-11-27-20(26)17(14)8-16/h2-10H,11H2,1H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25613 (2,6-Disubstituted Pyrazine, 76 | N-[4-({6-[(3,4,5-...) Show SMILES COc1cc(Nc2cncc(Oc3ccc(NC(C)=O)c4ccccc34)n2)cc(OC)c1OC Show InChI InChI=1S/C25H24N4O5/c1-15(30)27-19-9-10-20(18-8-6-5-7-17(18)19)34-24-14-26-13-23(29-24)28-16-11-21(31-2)25(33-4)22(12-16)32-3/h5-14H,1-4H3,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25614 (2,6-Disubstituted Pyrazine, 77 | N-{5-[(6-{[3-(1,3...) Show SMILES CC(=O)Nc1cccc2c(Oc3cncc(Nc4cccc(c4)-c4cnco4)n3)cccc12 Show InChI InChI=1S/C25H19N5O3/c1-16(31)28-21-9-3-8-20-19(21)7-4-10-22(20)33-25-14-26-13-24(30-25)29-18-6-2-5-17(11-18)23-12-27-15-32-23/h2-15H,1H3,(H,28,31)(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180359 (2-(3-Oxo-1,3-dihydroisobenzofuran-5-ylamino)-6-(3-...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(Nc2ccc3COC(=O)c3c2)n1 Show InChI InChI=1S/C20H16N4O3/c1-12(25)22-15-4-2-3-13(7-15)18-9-21-10-19(24-18)23-16-6-5-14-11-27-20(26)17(14)8-16/h2-10H,11H2,1H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against human B-RAF				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180350 (2-[3-(Oxazol-5-yl)phenylamino]-6-(3-acetamidopheny...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(Nc2cccc(c2)-c2cnco2)n1 Show InChI InChI=1S/C21H17N5O2/c1-14(27)24-17-6-2-4-15(8-17)19-10-22-12-21(26-19)25-18-7-3-5-16(9-18)20-11-23-13-28-20/h2-13H,1H3,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against human B-RAF				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180353 (2-(2,6-Dichloropyridin-4-ylamino)-6-(3-acetamidoph...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(Nc2cc(Cl)nc(Cl)c2)n1 Show InChI InChI=1S/C17H13Cl2N5O/c1-10(25)21-12-4-2-3-11(5-12)14-8-20-9-17(23-14)22-13-6-15(18)24-16(19)7-13/h2-9H,1H3,(H,21,25)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against human B-RAF				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25570 (2,6-Disubstituted Pyrazine, 13 | 4-{6-[(3,4,5-trim...) Show SMILES COc1cc(Nc2cncc(n2)-c2ccc(cc2)C(N)=O)cc(OC)c1OC Show InChI InChI=1S/C20H20N4O4/c1-26-16-8-14(9-17(27-2)19(16)28-3)23-18-11-22-10-15(24-18)12-4-6-13(7-5-12)20(21)25/h4-11H,1-3H3,(H2,21,25)(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.2	22
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25569 (1-phenyl-3-(4-{6-[(3,4,5-trimethoxyphenyl)amino]py...) Show SMILES COc1cc(Nc2cncc(n2)-c2ccc(NC(=O)Nc3ccccc3)cc2)cc(OC)c1OC Show InChI InChI=1S/C26H25N5O4/c1-33-22-13-20(14-23(34-2)25(22)35-3)28-24-16-27-15-21(31-24)17-9-11-19(12-10-17)30-26(32)29-18-7-5-4-6-8-18/h4-16H,1-3H3,(H,28,31)(H2,29,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.2	22
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25580 (2,6-Disubstituted Pyrazine, 26 | 6-(naphthalen-1-y...) Show SMILES COc1cc(Nc2cncc(Oc3cccc4ccccc34)n2)cc(OC)c1OC Show InChI InChI=1S/C23H21N3O4/c1-27-19-11-16(12-20(28-2)23(19)29-3)25-21-13-24-14-22(26-21)30-18-10-6-8-15-7-4-5-9-17(15)18/h4-14H,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.2	22
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180339 (2-(3,4-Dimethoxyphenylamino)-6-(3-acetamidophenyl)...) Show SMILES COc1ccc(Nc2cncc(n2)-c2cccc(NC(C)=O)c2)cc1OC Show InChI InChI=1S/C20H20N4O3/c1-13(25)22-15-6-4-5-14(9-15)17-11-21-12-20(24-17)23-16-7-8-18(26-2)19(10-16)27-3/h4-12H,1-3H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against human B-RAF				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25609 (2,6-Disubstituted Pyrazine, 73 | 6-{[(1E)-1-(hydro...) Show SMILES COc1cc(Nc2cncc(Oc3cccc4C(CCc34)N=O)n2)cc(OC)c1OC Show InChI InChI=1S/C22H22N4O5/c1-28-18-9-13(10-19(29-2)22(18)30-3)24-20-11-23-12-21(25-20)31-17-6-4-5-14-15(17)7-8-16(14)26-27/h4-6,9-12,16H,7-8H2,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180330 (2-(3-Chlorophenylamino)-6-(3-acetamidophenyl)pyraz...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C18H15ClN4O/c1-12(24)21-15-6-2-4-13(8-15)17-10-20-11-18(23-17)22-16-7-3-5-14(19)9-16/h2-11H,1H3,(H,21,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25590 (2,6-Disubstituted Pyrazine, 53 | 6-(quinolin-4-ylo...) Show SMILES COc1cc(Nc2cncc(Oc3ccnc4ccccc34)n2)cc(OC)c1OC Show InChI InChI=1S/C22H20N4O4/c1-27-18-10-14(11-19(28-2)22(18)29-3)25-20-12-23-13-21(26-20)30-17-8-9-24-16-7-5-4-6-15(16)17/h4-13H,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180354 (2-(4-Morpholinophenylamino)-6-(3-acetamidophenyl)p...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C22H23N5O2/c1-16(28)24-19-4-2-3-17(13-19)21-14-23-15-22(26-21)25-18-5-7-20(8-6-18)27-9-11-29-12-10-27/h2-8,13-15H,9-12H2,1H3,(H,24,28)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25615 (2,6-Disubstituted Pyrazine, 78 | N-[5-({6-[(3-oxo-...) Show SMILES CC(=O)Nc1cccc2c(Oc3cncc(Nc4ccc5COC(=O)c5c4)n3)cccc12 Show InChI InChI=1S/C24H18N4O4/c1-14(29)26-20-6-2-5-18-17(20)4-3-7-21(18)32-23-12-25-11-22(28-23)27-16-9-8-15-13-31-24(30)19(15)10-16/h2-12H,13H2,1H3,(H,26,29)(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180331 (2-(3,5-Dimethoxyphenylamino)-6-(3-acetamidophenyl)...) Show SMILES COc1cc(Nc2cncc(n2)-c2cccc(NC(C)=O)c2)cc(OC)c1 Show InChI InChI=1S/C20H20N4O3/c1-13(25)22-15-6-4-5-14(7-15)19-11-21-12-20(24-19)23-16-8-17(26-2)10-18(9-16)27-3/h4-12H,1-3H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against human B-RAF				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25562 (2,6-Disubstituted Pyrazine, 4 | 6-(pyridin-4-yl)-N...) Show SMILES COc1cc(Nc2cncc(n2)-c2ccncc2)cc(OC)c1OC Show InChI InChI=1S/C18H18N4O3/c1-23-15-8-13(9-16(24-2)18(15)25-3)21-17-11-20-10-14(22-17)12-4-6-19-7-5-12/h4-11H,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	7.2	22
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180331 (2-(3,5-Dimethoxyphenylamino)-6-(3-acetamidophenyl)...) Show SMILES COc1cc(Nc2cncc(n2)-c2cccc(NC(C)=O)c2)cc(OC)c1 Show InChI InChI=1S/C20H20N4O3/c1-13(25)22-15-6-4-5-14(7-15)19-11-21-12-20(24-19)23-16-8-17(26-2)10-18(9-16)27-3/h4-12H,1-3H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25568 (2,6-Disubstituted Pyrazine, 10 | 4-{6-[(3,4,5-trim...) Show SMILES COc1cc(Nc2cncc(n2)-c2ccc(C=O)cc2)cc(OC)c1OC Show InChI InChI=1S/C20H19N3O4/c1-25-17-8-15(9-18(26-2)20(17)27-3)22-19-11-21-10-16(23-19)14-6-4-13(12-24)5-7-14/h4-12H,1-3H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	7.2	22
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180337 (2-(2,3-Dihydrobenzo[b][1,4]dioxin-6-ylamino)-6-(3-...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(Nc2ccc3OCCOc3c2)n1 Show InChI InChI=1S/C20H18N4O3/c1-13(25)22-15-4-2-3-14(9-15)17-11-21-12-20(24-17)23-16-5-6-18-19(10-16)27-8-7-26-18/h2-6,9-12H,7-8H2,1H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180356 (2-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-ylamino)...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(Nc2ccc3OCCCOc3c2)n1 Show InChI InChI=1S/C21H20N4O3/c1-14(26)23-16-5-2-4-15(10-16)18-12-22-13-21(25-18)24-17-6-7-19-20(11-17)28-9-3-8-27-19/h2,4-7,10-13H,3,8-9H2,1H3,(H,23,26)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25561 (2,6-Disubstituted Pyrazine, 1 | CHEMBL200114 | N-(...) Show SMILES COc1cc(Nc2cncc(n2)-c2cccc(NC(C)=O)c2)cc(OC)c1OC Show InChI InChI=1S/C21H22N4O4/c1-13(26)23-15-7-5-6-14(8-15)17-11-22-12-20(25-17)24-16-9-18(27-2)21(29-4)19(10-16)28-3/h5-12H,1-4H3,(H,23,26)(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	7.2	22
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25561 (2,6-Disubstituted Pyrazine, 1 | CHEMBL200114 | N-(...) Show SMILES COc1cc(Nc2cncc(n2)-c2cccc(NC(C)=O)c2)cc(OC)c1OC Show InChI InChI=1S/C21H22N4O4/c1-13(26)23-15-7-5-6-14(8-15)17-11-22-12-20(25-17)24-16-9-18(27-2)21(29-4)19(10-16)28-3/h5-12H,1-4H3,(H,23,26)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against human B-RAF				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25561 (2,6-Disubstituted Pyrazine, 1 | CHEMBL200114 | N-(...) Show SMILES COc1cc(Nc2cncc(n2)-c2cccc(NC(C)=O)c2)cc(OC)c1OC Show InChI InChI=1S/C21H22N4O4/c1-13(26)23-15-7-5-6-14(8-15)17-11-22-12-20(25-17)24-16-9-18(27-2)21(29-4)19(10-16)28-3/h5-12H,1-4H3,(H,23,26)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180358 (2-[3-(2-Aminoethoxy)phenylamino]-6-(3-acetamidophe...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(Nc2cccc(OCCN)c2)n1 Show InChI InChI=1S/C20H21N5O2/c1-14(26)23-16-5-2-4-15(10-16)19-12-22-13-20(25-19)24-17-6-3-7-18(11-17)27-9-8-21/h2-7,10-13H,8-9,21H2,1H3,(H,23,26)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against human B-RAF				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25593 (2,6-Disubstituted Pyrazine, 56 | 6-(isoquinolin-5-...) Show SMILES COc1cc(Nc2cncc(Oc3cccc4cnccc34)n2)cc(OC)c1OC Show InChI InChI=1S/C22H20N4O4/c1-27-18-9-15(10-19(28-2)22(18)29-3)25-20-12-24-13-21(26-20)30-17-6-4-5-14-11-23-8-7-16(14)17/h4-13H,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180332 (2-(3,4-Methylenedioxyphenylaminomethyl)-6-(3-aceta...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(NCc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C20H18N4O3/c1-13(25)23-16-4-2-3-15(8-16)17-10-21-11-20(24-17)22-9-14-5-6-18-19(7-14)27-12-26-18/h2-8,10-11H,9,12H2,1H3,(H,22,24)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against human B-RAF				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25564 (2,6-Disubstituted Pyrazine, 6 | 3-{6-[(3,4,5-trime...) Show SMILES COc1cc(Nc2cncc(n2)-c2cccc(O)c2)cc(OC)c1OC Show InChI InChI=1S/C19H19N3O4/c1-24-16-8-13(9-17(25-2)19(16)26-3)21-18-11-20-10-15(22-18)12-5-4-6-14(23)7-12/h4-11,23H,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	7.2	22
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180341 (2-(3-Methoxyphenylamino)-6-(3-acetamidophenyl)pyra...) Show SMILES COc1cccc(Nc2cncc(n2)-c2cccc(NC(C)=O)c2)c1 Show InChI InChI=1S/C19H18N4O2/c1-13(24)21-15-6-3-5-14(9-15)18-11-20-12-19(23-18)22-16-7-4-8-17(10-16)25-2/h3-12H,1-2H3,(H,21,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Thymidylate kinase (Homo sapiens (Human))	BDBM50367702 (CHEMBL606084) Show SMILES Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C21H33N7O25P6/c1-9-3-27(21(33)26-19(9)32)13-2-10(29)11(48-13)4-46-54(34,35)8-55(36,37)50-57(40,41)52-59(44,45)53-58(42,43)51-56(38,39)47-5-12-15(30)16(31)20(49-12)28-7-25-14-17(22)23-6-24-18(14)28/h3,6-7,10-13,15-16,20,29-31H,2,4-5,8H2,1H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H2,22,23,24)(H,26,32,33)/t10-,11+,12+,13?,15+,16+,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells				J Med Chem 31: 1305-8 (1988) BindingDB Entry DOI: 10.7270/Q2FT8MNX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180333 (2-[(5-Methyl-3-isoxazolyl)methylamino]-6-(3-acetam...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(NCc2cc(C)on2)n1 Show InChI InChI=1S/C17H17N5O2/c1-11-6-15(22-24-11)8-19-17-10-18-9-16(21-17)13-4-3-5-14(7-13)20-12(2)23/h3-7,9-10H,8H2,1-2H3,(H,19,21)(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against human B-RAF				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180356 (2-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-ylamino)...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(Nc2ccc3OCCCOc3c2)n1 Show InChI InChI=1S/C21H20N4O3/c1-14(26)23-16-5-2-4-15(10-16)18-12-22-13-21(25-18)24-17-6-7-19-20(11-17)28-9-3-8-27-19/h2,4-7,10-13H,3,8-9H2,1H3,(H,23,26)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against human B-RAF				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25575 (2,6-Disubstituted Pyrazine, 21 | 2-N-(pyridin-4-yl...) Show SMILES COc1cc(Nc2cncc(Nc3ccncc3)n2)cc(OC)c1OC Show InChI InChI=1S/C18H19N5O3/c1-24-14-8-13(9-15(25-2)18(14)26-3)22-17-11-20-10-16(23-17)21-12-4-6-19-7-5-12/h4-11H,1-3H3,(H2,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	7.2	22
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180341 (2-(3-Methoxyphenylamino)-6-(3-acetamidophenyl)pyra...) Show SMILES COc1cccc(Nc2cncc(n2)-c2cccc(NC(C)=O)c2)c1 Show InChI InChI=1S/C19H18N4O2/c1-13(24)21-15-6-3-5-14(9-15)18-11-20-12-19(23-18)22-16-7-4-8-17(10-16)25-2/h3-12H,1-2H3,(H,21,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against human B-RAF				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25577 (2,6-Disubstituted Pyrazine, 23 | 4-({6-[(3,4,5-tri...) Show SMILES COc1cc(Nc2cncc(Nc3ccc(O)cc3)n2)cc(OC)c1OC Show InChI InChI=1S/C19H20N4O4/c1-25-15-8-13(9-16(26-2)19(15)27-3)22-18-11-20-10-17(23-18)21-12-4-6-14(24)7-5-12/h4-11,24H,1-3H3,(H2,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	7.2	22
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180358 (2-[3-(2-Aminoethoxy)phenylamino]-6-(3-acetamidophe...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(Nc2cccc(OCCN)c2)n1 Show InChI InChI=1S/C20H21N5O2/c1-14(26)23-16-5-2-4-15(10-16)19-12-22-13-20(25-19)24-17-6-3-7-18(11-17)27-9-8-21/h2-7,10-13H,8-9,21H2,1H3,(H,23,26)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180355 (2-[4-(Trifluoromethoxy)phenylamino]-6-(3-acetamido...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1 Show InChI InChI=1S/C19H15F3N4O2/c1-12(27)24-15-4-2-3-13(9-15)17-10-23-11-18(26-17)25-14-5-7-16(8-6-14)28-19(20,21)22/h2-11H,1H3,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180337 (2-(2,3-Dihydrobenzo[b][1,4]dioxin-6-ylamino)-6-(3-...) Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(Nc2ccc3OCCOc3c2)n1 Show InChI InChI=1S/C20H18N4O3/c1-13(25)22-15-4-2-3-14(9-15)17-11-21-12-20(24-17)23-16-5-6-18-19(10-16)27-8-7-26-18/h2-6,9-12H,7-8H2,1H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against human B-RAF				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25604 (2,6-Disubstituted Pyrazine, 67 | N-[4-({6-[(3,4,5-...) Show SMILES COc1cc(Nc2cncc(Oc3ccc(NC(C)=O)cc3)n2)cc(OC)c1OC Show InChI InChI=1S/C21H22N4O5/c1-13(26)23-14-5-7-16(8-6-14)30-20-12-22-11-19(25-20)24-15-9-17(27-2)21(29-4)18(10-15)28-3/h5-12H,1-4H3,(H,23,26)(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research UK Centre for Cancer Therapeutics					Assay Description BRAF kinase activity was quantified using a DELFIA-based MEK1 phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curves...				J Med Chem 51: 3261-74 (2008) Article DOI: 10.1021/jm070776b BindingDB Entry DOI: 10.7270/Q2X34VRR
					More data for this Ligand-Target Pair
Thymidylate kinase (Homo sapiens (Human))	BDBM50367696 (CHEMBL605435) Show SMILES Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)CP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C21H32N7O22P5/c1-9-3-27(21(33)26-19(9)32)13-2-10(29)11(46-13)4-44-51(34,35)8-52(36,37)48-54(40,41)50-55(42,43)49-53(38,39)45-5-12-15(30)16(31)20(47-12)28-7-25-14-17(22)23-6-24-18(14)28/h3,6-7,10-13,15-16,20,29-31H,2,4-5,8H2,1H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,22,23,24)(H,26,32,33)/t10-,11+,12+,13?,15+,16+,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells				J Med Chem 31: 1305-8 (1988) BindingDB Entry DOI: 10.7270/Q2FT8MNX
					More data for this Ligand-Target Pair
Thymidylate kinase (Homo sapiens (Human))	BDBM50367698 (CHEMBL604405) Show SMILES Cc1cn(C2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C20H31N7O26P6/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(47-12)4-45-54(33,34)49-56(37,38)51-58(41,42)53-59(43,44)52-57(39,40)50-55(35,36)46-5-11-14(29)15(30)19(48-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12?,14+,15+,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Concentration required to reduce Thymidylate kinase rate by 50% in human blast cells				J Med Chem 31: 1305-8 (1988) BindingDB Entry DOI: 10.7270/Q2FT8MNX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50180339 (2-(3,4-Dimethoxyphenylamino)-6-(3-acetamidophenyl)...) Show SMILES COc1ccc(Nc2cncc(n2)-c2cccc(NC(C)=O)c2)cc1OC Show InChI InChI=1S/C20H20N4O3/c1-13(25)22-15-6-4-5-14(9-15)17-11-21-12-20(24-17)23-16-7-8-18(26-2)19(10-16)27-3/h4-12H,1-3H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Growth inhibition in human melanoma cells WM266.4 expressing mutant B-RAF with SRB				J Med Chem 49: 407-16 (2006) Article DOI: 10.1021/jm050983g BindingDB Entry DOI: 10.7270/Q2KD1XH9
					More data for this Ligand-Target Pair

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