null

SMILES: Fc1ccc(NS(=O)(=O)c2ccoc2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12

InChI Key: InChIKey=ACIXGVIVJZJKNT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50038473   

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))	BDBM50038473 (CHEMBL3354844 | US9216981, 18) Show SMILES Fc1ccc(NS(=O)(=O)c2ccoc2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12 Show InChI InChI=1S/C20H13F2N7O3S/c21-13-3-4-14(29-33(30,31)11-5-7-32-8-11)15(22)17(13)28-19-12(2-1-6-23-19)16-18-20(26-9-24-16)27-10-25-18/h1-10,29H,(H,23,28)(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	US Patent	n/a	n/a	1	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))	BDBM50038473 (CHEMBL3354844 | US9216981, 18) Show SMILES Fc1ccc(NS(=O)(=O)c2ccoc2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12 Show InChI InChI=1S/C20H13F2N7O3S/c21-13-3-4-14(29-33(30,31)11-5-7-32-8-11)15(22)17(13)28-19-12(2-1-6-23-19)16-18-20(26-9-24-16)27-10-25-18/h1-10,29H,(H,23,28)(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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant (unknown origin)				Eur J Med Chem 89: 581-96 (2014) Article DOI: 10.1016/j.ejmech.2014.10.039 BindingDB Entry DOI: 10.7270/Q21N82R6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50038473 (CHEMBL3354844 | US9216981, 18) Show SMILES Fc1ccc(NS(=O)(=O)c2ccoc2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12 Show InChI InChI=1S/C20H13F2N7O3S/c21-13-3-4-14(29-33(30,31)11-5-7-32-8-11)15(22)17(13)28-19-12(2-1-6-23-19)16-18-20(26-9-24-16)27-10-25-18/h1-10,29H,(H,23,28)(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	US Patent	n/a	n/a	n/a	n/a	2	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