null

SMILES: CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cccnc3)nc2n(C)c1=O

InChI Key: InChIKey=DZCOPPRDWYYOQH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50485028   

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))	BDBM50485028 (CHEMBL2023501) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cccnc3)nc2n(C)c1=O |(39.5,-24.7,;38.16,-23.92,;36.83,-24.7,;35.5,-23.93,;34.72,-22.59,;36.26,-22.59,;34.17,-24.71,;32.84,-23.94,;32.83,-22.39,;31.49,-21.63,;30.16,-22.39,;28.83,-21.63,;30.16,-23.94,;31.5,-24.71,;31.5,-26.25,;28.83,-24.71,;27.5,-23.93,;26.17,-24.7,;24.84,-23.92,;23.52,-24.69,;23.52,-26.23,;22.18,-27,;20.85,-26.23,;19.53,-27,;18.19,-26.24,;18.19,-24.7,;19.52,-23.92,;20.86,-24.69,;24.84,-26.99,;26.16,-26.23,;27.5,-27,;27.5,-28.54,;28.83,-26.24,;30.17,-27,)| Show InChI InChI=1S/C22H20F2N6O3S/c1-3-9-34(32,33)29-17-7-6-16(23)18(19(17)24)15-10-13-11-26-22(27-14-5-4-8-25-12-14)28-20(13)30(2)21(15)31/h4-8,10-12,29H,3,9H2,1-2H3,(H,26,27,28)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr				Bioorg Med Chem Lett 22: 3387-91 (2012) Article DOI: 10.1016/j.bmcl.2012.04.015 BindingDB Entry DOI: 10.7270/Q24J0HZ4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50485028 (CHEMBL2023501) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cccnc3)nc2n(C)c1=O |(39.5,-24.7,;38.16,-23.92,;36.83,-24.7,;35.5,-23.93,;34.72,-22.59,;36.26,-22.59,;34.17,-24.71,;32.84,-23.94,;32.83,-22.39,;31.49,-21.63,;30.16,-22.39,;28.83,-21.63,;30.16,-23.94,;31.5,-24.71,;31.5,-26.25,;28.83,-24.71,;27.5,-23.93,;26.17,-24.7,;24.84,-23.92,;23.52,-24.69,;23.52,-26.23,;22.18,-27,;20.85,-26.23,;19.53,-27,;18.19,-26.24,;18.19,-24.7,;19.52,-23.92,;20.86,-24.69,;24.84,-26.99,;26.16,-26.23,;27.5,-27,;27.5,-28.54,;28.83,-26.24,;30.17,-27,)| Show InChI InChI=1S/C22H20F2N6O3S/c1-3-9-34(32,33)29-17-7-6-16(23)18(19(17)24)15-10-13-11-26-22(27-14-5-4-8-25-12-14)28-20(13)30(2)21(15)31/h4-8,10-12,29H,3,9H2,1-2H3,(H,26,27,28)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. Curated by ChEMBL					Assay Description Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...				Bioorg Med Chem Lett 22: 3387-91 (2012) Article DOI: 10.1016/j.bmcl.2012.04.015 BindingDB Entry DOI: 10.7270/Q24J0HZ4
					More data for this Ligand-Target Pair