Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50165859'   

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))	BDBM50165859 (CHEMBL3799288) Show SMILES CCCC(C)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F Show InChI InChI=1S/C21H21F2N7O2S/c1-3-5-12(2)33(31,32)30-15-8-7-14(22)18(16(15)23)29-20-13(6-4-9-24-20)17-19-21(27-10-25-17)28-11-26-19/h4,6-12,30H,3,5H2,1-2H3,(H,24,29)(H,25,26,27,28)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant (unknown origin) assessed as MEK1 phosphorylation using MEK1-Avitag as substrate after 1 hr by HTRF assay				Bioorg Med Chem 24: 2215-34 (2016) Article DOI: 10.1016/j.bmc.2016.03.055 BindingDB Entry DOI: 10.7270/Q21C1ZS0
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50165859 (CHEMBL3799288) Show SMILES CCCC(C)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F Show InChI InChI=1S/C21H21F2N7O2S/c1-3-5-12(2)33(31,32)30-15-8-7-14(22)18(16(15)23)29-20-13(6-4-9-24-20)17-19-21(27-10-25-17)28-11-26-19/h4,6-12,30H,3,5H2,1-2H3,(H,24,29)(H,25,26,27,28)	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	112	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of wild type B-Raf (unknown origin) assessed as MEK1 phosphorylation using MEK1-Avitag as substrate after 1 hr by HTRF assay				Bioorg Med Chem 24: 2215-34 (2016) Article DOI: 10.1016/j.bmc.2016.03.055 BindingDB Entry DOI: 10.7270/Q21C1ZS0
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50165859 (CHEMBL3799288) Show SMILES CCCC(C)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F Show InChI InChI=1S/C21H21F2N7O2S/c1-3-5-12(2)33(31,32)30-15-8-7-14(22)18(16(15)23)29-20-13(6-4-9-24-20)17-19-21(27-10-25-17)28-11-26-19/h4,6-12,30H,3,5H2,1-2H3,(H,24,29)(H,25,26,27,28)	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	130	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant in human A375 cells assessed as ERK phosphorylation preincubated for 1 hr by Western blot method				Bioorg Med Chem 24: 2215-34 (2016) Article DOI: 10.1016/j.bmc.2016.03.055 BindingDB Entry DOI: 10.7270/Q21C1ZS0
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50165859 (CHEMBL3799288) Show SMILES CCCC(C)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F Show InChI InChI=1S/C21H21F2N7O2S/c1-3-5-12(2)33(31,32)30-15-8-7-14(22)18(16(15)23)29-20-13(6-4-9-24-20)17-19-21(27-10-25-17)28-11-26-19/h4,6-12,30H,3,5H2,1-2H3,(H,24,29)(H,25,26,27,28)	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	n/a	n/a	8.09E+3	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of wild type B-Raf in human MIAPaCa2 cells assessed as reduction in ERK phosphorylation preincubated for 1 hr by Western blot method				Bioorg Med Chem 24: 2215-34 (2016) Article DOI: 10.1016/j.bmc.2016.03.055 BindingDB Entry DOI: 10.7270/Q21C1ZS0
					More data for this Ligand-Target Pair