BDBM50118386 CHEMBL3613307

SMILES: CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]c(cc23)-c2cccc(c2)C(F)(F)F)c1

InChI Key: InChIKey=CTGTWMKGYMJBNV-UHFFFAOYSA-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 = 50118386   

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
TNNI3K (Homo sapiens (Human))	BDBM50118386 (CHEMBL3613307) Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]c(cc23)-c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H21F3N6O2S/c1-26-34(32,33)15-7-8-19(31(2)3)18(10-15)30-21-16-11-17(29-20(16)27-12-28-21)13-5-4-6-14(9-13)22(23,24)25/h4-12,26H,1-3H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human myc-tagged TNNI3K autophosphorylation overexpressed in HEKMSRII cells preincubated for 30 mins followed by pervanadate solution a...				J Med Chem 58: 7431-48 (2015) BindingDB Entry DOI: 10.7270/Q2FT8NV1
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50118386 (CHEMBL3613307) Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]c(cc23)-c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H21F3N6O2S/c1-26-34(32,33)15-7-8-19(31(2)3)18(10-15)30-21-16-11-17(29-20(16)27-12-28-21)13-5-4-6-14(9-13)22(23,24)25/h4-12,26H,1-3H3,(H2,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of His6-tagged full length BRAF V600E mutant (2 to 766 residues) (unknown origin) expressed in Baculovirus expression system by BRAMA meth...				J Med Chem 58: 7431-48 (2015) BindingDB Entry DOI: 10.7270/Q2FT8NV1
					More data for this Ligand-Target Pair
TNNI3K (Homo sapiens (Human))	BDBM50118386 (CHEMBL3613307) Show SMILES CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]c(cc23)-c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H21F3N6O2S/c1-26-34(32,33)15-7-8-19(31(2)3)18(10-15)30-21-16-11-17(29-20(16)27-12-28-21)13-5-4-6-14(9-13)22(23,24)25/h4-12,26H,1-3H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo...				J Med Chem 58: 7431-48 (2015) BindingDB Entry DOI: 10.7270/Q2FT8NV1
					More data for this Ligand-Target Pair