BDBM50165884 CHEMBL3799949

SMILES: Fc1ccc(NS(=O)(=O)N2CCCC2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12

InChI Key: InChIKey=KBAJWXYBQYEMSD-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50165884   

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))	BDBM50165884 (CHEMBL3799949) Show SMILES Fc1ccc(NS(=O)(=O)N2CCCC2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12 Show InChI InChI=1S/C20H18F2N8O2S/c21-13-5-6-14(29-33(31,32)30-8-1-2-9-30)15(22)17(13)28-19-12(4-3-7-23-19)16-18-20(26-10-24-16)27-11-25-18/h3-7,10-11,29H,1-2,8-9H2,(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	31	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))	BDBM50165884 (CHEMBL3799949) Show SMILES Fc1ccc(NS(=O)(=O)N2CCCC2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12 Show InChI InChI=1S/C20H18F2N8O2S/c21-13-5-6-14(29-33(31,32)30-8-1-2-9-30)15(22)17(13)28-19-12(4-3-7-23-19)16-18-20(26-10-24-16)27-11-25-18/h3-7,10-11,29H,1-2,8-9H2,(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	2	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))	BDBM50165884 (CHEMBL3799949) Show SMILES Fc1ccc(NS(=O)(=O)N2CCCC2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12 Show InChI InChI=1S/C20H18F2N8O2S/c21-13-5-6-14(29-33(31,32)30-8-1-2-9-30)15(22)17(13)28-19-12(4-3-7-23-19)16-18-20(26-10-24-16)27-11-25-18/h3-7,10-11,29H,1-2,8-9H2,(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	44	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))	BDBM50165884 (CHEMBL3799949) Show SMILES Fc1ccc(NS(=O)(=O)N2CCCC2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12 Show InChI InChI=1S/C20H18F2N8O2S/c21-13-5-6-14(29-33(31,32)30-8-1-2-9-30)15(22)17(13)28-19-12(4-3-7-23-19)16-18-20(26-10-24-16)27-11-25-18/h3-7,10-11,29H,1-2,8-9H2,(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	n/a	n/a	2.07E+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