null

SMILES: CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F

InChI Key: InChIKey=WCNKFDYACPTVPO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50165871   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50165871 (CHEMBL3798635 | US9550781, 13) Show SMILES CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F Show InChI InChI=1S/C17H13F2N7O2S/c1-29(27,28)26-11-5-4-10(18)14(12(11)19)25-16-9(3-2-6-20-16)13-15-17(23-7-21-13)24-8-22-15/h2-8,26H,1H3,(H,20,25)(H,21,22,23,24)	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	412	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))	BDBM50165871 (CHEMBL3798635 | US9550781, 13) Show SMILES CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F Show InChI InChI=1S/C17H13F2N7O2S/c1-29(27,28)26-11-5-4-10(18)14(12(11)19)25-16-9(3-2-6-20-16)13-15-17(23-7-21-13)24-8-22-15/h2-8,26H,1H3,(H,20,25)(H,21,22,23,24)	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	6.69E+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
Nuclear receptor coactivator 2 [740-753] ()	BDBM50165871 (CHEMBL3798635 | US9550781, 13) Show SMILES CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F Show InChI InChI=1S/C17H13F2N7O2S/c1-29(27,28)26-11-5-4-10(18)14(12(11)19)25-16-9(3-2-6-20-16)13-15-17(23-7-21-13)24-8-22-15/h2-8,26H,1H3,(H,20,25)(H,21,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus Biopharma Co., Ltd.; Chia Tai Tianqing Pharmaceutical Group Co., Ltd. US Patent					Assay Description In vitro B-RAF Kinase Assay. To determine iIn vitro activities of recombinant B-RAF enzyme, a Homogeneous Time-Resolved Fluorescence (HTRF) assay was...				US Patent US9550781 (2017) BindingDB Entry DOI: 10.7270/Q2X63PXK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50165871 (CHEMBL3798635 | US9550781, 13) Show SMILES CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F Show InChI InChI=1S/C17H13F2N7O2S/c1-29(27,28)26-11-5-4-10(18)14(12(11)19)25-16-9(3-2-6-20-16)13-15-17(23-7-21-13)24-8-22-15/h2-8,26H,1H3,(H,20,25)(H,21,22,23,24)	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	360	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))	BDBM50165871 (CHEMBL3798635 | US9550781, 13) Show SMILES CS(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F Show InChI InChI=1S/C17H13F2N7O2S/c1-29(27,28)26-11-5-4-10(18)14(12(11)19)25-16-9(3-2-6-20-16)13-15-17(23-7-21-13)24-8-22-15/h2-8,26H,1H3,(H,20,25)(H,21,22,23,24)	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	356	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