Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM197714'   

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))	BDBM197714 (US9216981, 43) Show SMILES Cn1cc(cn1)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F Show InChI InChI=1S/C20H15F2N9O2S/c1-31-8-11(7-28-31)34(32,33)30-14-5-4-13(21)17(15(14)22)29-19-12(3-2-6-23-19)16-18-20(26-9-24-16)27-10-25-18/h2-10,30H,1H3,(H,23,29)(H,24,25,26,27)	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	8	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))	BDBM197714 (US9216981, 43) Show SMILES Cn1cc(cn1)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F Show InChI InChI=1S/C20H15F2N9O2S/c1-31-8-11(7-28-31)34(32,33)30-14-5-4-13(21)17(15(14)22)29-19-12(3-2-6-23-19)16-18-20(26-9-24-16)27-10-25-18/h2-10,30H,1H3,(H,23,29)(H,24,25,26,27)	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	19	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))	BDBM197714 (US9216981, 43) Show SMILES Cn1cc(cn1)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F Show InChI InChI=1S/C20H15F2N9O2S/c1-31-8-11(7-28-31)34(32,33)30-14-5-4-13(21)17(15(14)22)29-19-12(3-2-6-23-19)16-18-20(26-9-24-16)27-10-25-18/h2-10,30H,1H3,(H,23,29)(H,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	7.2	30
Medpacto, Inc. US Patent					Assay Description To check the B-Raf kinase inhibitory activity of the compounds of the present invention, the following experiments were conducted.(1) Serial Signalin...				US Patent US9216981 (2015) BindingDB Entry DOI: 10.7270/Q2BC3XCR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM197714 (US9216981, 43) Show SMILES Cn1cc(cn1)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F Show InChI InChI=1S/C20H15F2N9O2S/c1-31-8-11(7-28-31)34(32,33)30-14-5-4-13(21)17(15(14)22)29-19-12(3-2-6-23-19)16-18-20(26-9-24-16)27-10-25-18/h2-10,30H,1H3,(H,23,29)(H,24,25,26,27)	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	710	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))	BDBM197714 (US9216981, 43) Show SMILES Cn1cc(cn1)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F Show InChI InChI=1S/C20H15F2N9O2S/c1-31-8-11(7-28-31)34(32,33)30-14-5-4-13(21)17(15(14)22)29-19-12(3-2-6-23-19)16-18-20(26-9-24-16)27-10-25-18/h2-10,30H,1H3,(H,23,29)(H,24,25,26,27)	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	n/a	n/a	2.22E+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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM197714 (US9216981, 43) Show SMILES Cn1cc(cn1)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F Show InChI InChI=1S/C20H15F2N9O2S/c1-31-8-11(7-28-31)34(32,33)30-14-5-4-13(21)17(15(14)22)29-19-12(3-2-6-23-19)16-18-20(26-9-24-16)27-10-25-18/h2-10,30H,1H3,(H,23,29)(H,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.37E+3	n/a	n/a	n/a	37
Medpacto, Inc. US Patent					Assay Description To check the B-Raf cell activity inhibitory capability of the compounds of the present invention, the following experiments were conducted in A375P...				US Patent US9216981 (2015) BindingDB Entry DOI: 10.7270/Q2BC3XCR
					More data for this Ligand-Target Pair