BDBM50245265 CHEMBL4074045

SMILES: CNS(=O)(=O)c1cccc(c1)N(C)c1cc(Nc2cccc(C)c2)ncn1

InChI Key: InChIKey=VPJVWGDGKIRLMQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50245265   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245265 (CHEMBL4074045) Show SMILES CNS(=O)(=O)c1cccc(c1)N(C)c1cc(Nc2cccc(C)c2)ncn1 Show InChI InChI=1S/C19H21N5O2S/c1-14-6-4-7-15(10-14)23-18-12-19(22-13-21-18)24(3)16-8-5-9-17(11-16)27(25,26)20-2/h4-13,20H,1-3H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Purine nucleoside Phosphorylase from calf spleen at 1 mM PO4				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
TNNI3K (Homo sapiens (Human))	BDBM50245265 (CHEMBL4074045) Show SMILES CNS(=O)(=O)c1cccc(c1)N(C)c1cc(Nc2cccc(C)c2)ncn1 Show InChI InChI=1S/C19H21N5O2S/c1-14-6-4-7-15(10-14)23-18-12-19(22-13-21-18)24(3)16-8-5-9-17(11-16)27(25,26)20-2/h4-13,20H,1-3H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	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