null

SMILES: CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]ccc23)c1

InChI Key: InChIKey=OOBRVBGRWPCKGK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50118396   

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 TNNI3K (Homo sapiens (Human))	BDBM50118396 (CHEMBL3612647) Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C13H13N5O2S/c1-14-21(19,20)10-4-2-3-9(7-10)18-13-11-5-6-15-12(11)16-8-17-13/h2-8,14H,1H3,(H2,15,16,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50118396 (CHEMBL3612647) Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C13H13N5O2S/c1-14-21(19,20)10-4-2-3-9(7-10)18-13-11-5-6-15-12(11)16-8-17-13/h2-8,14H,1H3,(H2,15,16,17,18)	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	50	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
Serine/threonine-protein kinase TNNI3K (Homo sapiens (Human))	BDBM50118396 (CHEMBL3612647) Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C13H13N5O2S/c1-14-21(19,20)10-4-2-3-9(7-10)18-13-11-5-6-15-12(11)16-8-17-13/h2-8,14H,1H3,(H2,15,16,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo-3...				J Med Chem 61: 3076-3088 (2018) Article DOI: 10.1021/acs.jmedchem.8b00125 BindingDB Entry DOI: 10.7270/Q2Z3221C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50118396 (CHEMBL3612647) Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C13H13N5O2S/c1-14-21(19,20)10-4-2-3-9(7-10)18-13-11-5-6-15-12(11)16-8-17-13/h2-8,14H,1H3,(H2,15,16,17,18)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length His6-tagged BRAF V600E mutant (2 to 766 residues) (unknown origin) expressed in baculovirus system by B-Raf accelerated MEK...				Bioorg Med Chem Lett 26: 3355-3358 (2016) BindingDB Entry DOI: 10.7270/Q27083BJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TNNI3K (Homo sapiens (Human))	BDBM50118396 (CHEMBL3612647) Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C13H13N5O2S/c1-14-21(19,20)10-4-2-3-9(7-10)18-13-11-5-6-15-12(11)16-8-17-13/h2-8,14H,1H3,(H2,15,16,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	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 59: 10629-10641 (2016) Article DOI: 10.1021/acs.jmedchem.6b01342 BindingDB Entry DOI: 10.7270/Q2V126RT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TNNI3K (Homo sapiens (Human))	BDBM50118396 (CHEMBL3612647) Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]ccc23)c1 Show InChI InChI=1S/C13H13N5O2S/c1-14-21(19,20)10-4-2-3-9(7-10)18-13-11-5-6-15-12(11)16-8-17-13/h2-8,14H,1H3,(H2,15,16,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	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...				Bioorg Med Chem Lett 26: 3355-3358 (2016) BindingDB Entry DOI: 10.7270/Q27083BJ
					More data for this Ligand-Target Pair