Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50165868'   

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))	BDBM50165868 (CHEMBL3800081) Show SMILES Fc1ccc(NS(=O)(=O)c2nccs2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12 Show InChI InChI=1S/C19H12F2N8O2S2/c20-11-3-4-12(29-33(30,31)19-23-6-7-32-19)13(21)15(11)28-17-10(2-1-5-22-17)14-16-18(26-8-24-14)27-9-25-16/h1-9,29H,(H,22,28)(H,24,25,26,27)	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	1	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))	BDBM50165868 (CHEMBL3800081) Show SMILES Fc1ccc(NS(=O)(=O)c2nccs2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12 Show InChI InChI=1S/C19H12F2N8O2S2/c20-11-3-4-12(29-33(30,31)19-23-6-7-32-19)13(21)15(11)28-17-10(2-1-5-22-17)14-16-18(26-8-24-14)27-9-25-16/h1-9,29H,(H,22,28)(H,24,25,26,27)	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	2	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))	BDBM50165868 (CHEMBL3800081) Show SMILES Fc1ccc(NS(=O)(=O)c2nccs2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12 Show InChI InChI=1S/C19H12F2N8O2S2/c20-11-3-4-12(29-33(30,31)19-23-6-7-32-19)13(21)15(11)28-17-10(2-1-5-22-17)14-16-18(26-8-24-14)27-9-25-16/h1-9,29H,(H,22,28)(H,24,25,26,27)	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	31	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))	BDBM50165868 (CHEMBL3800081) Show SMILES Fc1ccc(NS(=O)(=O)c2nccs2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12 Show InChI InChI=1S/C19H12F2N8O2S2/c20-11-3-4-12(29-33(30,31)19-23-6-7-32-19)13(21)15(11)28-17-10(2-1-5-22-17)14-16-18(26-8-24-14)27-9-25-16/h1-9,29H,(H,22,28)(H,24,25,26,27)	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	n/a	n/a	783	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