BDBM50118418 CHEMBL3612667

SMILES: CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)c1

InChI Key: InChIKey=UCBHSPGNEZCSHN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50118418   

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))	BDBM50118418 (CHEMBL3612667) Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)c1 Show InChI InChI=1S/C19H17N5O2S/c1-20-27(25,26)15-9-5-8-14(10-15)24-19-17-16(13-6-3-2-4-7-13)11-21-18(17)22-12-23-19/h2-12,20H,1H3,(H2,21,22,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	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))	BDBM50118418 (CHEMBL3612667) Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)c1 Show InChI InChI=1S/C19H17N5O2S/c1-20-27(25,26)15-9-5-8-14(10-15)24-19-17-16(13-6-3-2-4-7-13)11-21-18(17)22-12-23-19/h2-12,20H,1H3,(H2,21,22,23,24)	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	4	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
TNNI3K (Homo sapiens (Human))	BDBM50118418 (CHEMBL3612667) Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)c1 Show InChI InChI=1S/C19H17N5O2S/c1-20-27(25,26)15-9-5-8-14(10-15)24-19-17-16(13-6-3-2-4-7-13)11-21-18(17)22-12-23-19/h2-12,20H,1H3,(H2,21,22,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50118418 (CHEMBL3612667) Show SMILES CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(-c4ccccc4)c23)c1 Show InChI InChI=1S/C19H17N5O2S/c1-20-27(25,26)15-9-5-8-14(10-15)24-19-17-16(13-6-3-2-4-7-13)11-21-18(17)22-12-23-19/h2-12,20H,1H3,(H2,21,22,23,24)	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	4	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