BDBM50165886 CHEMBL3800002

SMILES: O[C@H]1CCN(C1)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F

InChI Key: InChIKey=ZHQDXUJBHCRZBE-NSHDSACASA-N

Data: 3 IC50

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 3 hits for monomerid = 50165886   

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))	BDBM50165886 (CHEMBL3800002) Show SMILES O[C@H]1CCN(C1)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F |r| Show InChI InChI=1S/C20H18F2N8O3S/c21-13-3-4-14(29-34(32,33)30-7-5-11(31)8-30)15(22)17(13)28-19-12(2-1-6-23-19)16-18-20(26-9-24-16)27-10-25-18/h1-4,6,9-11,29,31H,5,7-8H2,(H,23,28)(H,24,25,26,27)/t11-/m0/s1	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	122	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))	BDBM50165886 (CHEMBL3800002) Show SMILES O[C@H]1CCN(C1)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F |r| Show InChI InChI=1S/C20H18F2N8O3S/c21-13-3-4-14(29-34(32,33)30-7-5-11(31)8-30)15(22)17(13)28-19-12(2-1-6-23-19)16-18-20(26-9-24-16)27-10-25-18/h1-4,6,9-11,29,31H,5,7-8H2,(H,23,28)(H,24,25,26,27)/t11-/m0/s1	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	9	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))	BDBM50165886 (CHEMBL3800002) Show SMILES O[C@H]1CCN(C1)S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F |r| Show InChI InChI=1S/C20H18F2N8O3S/c21-13-3-4-14(29-34(32,33)30-7-5-11(31)8-30)15(22)17(13)28-19-12(2-1-6-23-19)16-18-20(26-9-24-16)27-10-25-18/h1-4,6,9-11,29,31H,5,7-8H2,(H,23,28)(H,24,25,26,27)/t11-/m0/s1	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	201	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