BDBM50329056 CHEMBL1270772::N4-(2,3-dihydrobenzofuran-7-yl)-N2-(3-(methylsulfonyl)phenyl)pyrimidine-2,4-diamine

SMILES: CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4CCOc34)n2)c1

InChI Key: InChIKey=QAUBUHQKFKUNIZ-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 = 50329056   

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
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50329056 (CHEMBL1270772 | N4-(2,3-dihydrobenzofuran-7-yl)-N2...) Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4CCOc34)n2)c1 Show InChI InChI=1S/C19H18N4O3S/c1-27(24,25)15-6-3-5-14(12-15)21-19-20-10-8-17(23-19)22-16-7-2-4-13-9-11-26-18(13)16/h2-8,10,12H,9,11H2,1H3,(H2,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells				Bioorg Med Chem Lett 20: 6242-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.100 BindingDB Entry DOI: 10.7270/Q2QR4XCB
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50329056 (CHEMBL1270772 | N4-(2,3-dihydrobenzofuran-7-yl)-N2...) Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4CCOc34)n2)c1 Show InChI InChI=1S/C19H18N4O3S/c1-27(24,25)15-6-3-5-14(12-15)21-19-20-10-8-17(23-19)22-16-7-2-4-13-9-11-26-18(13)16/h2-8,10,12H,9,11H2,1H3,(H2,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EphB4 by acoustic dispensing assay				Bioorg Med Chem Lett 20: 6242-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.100 BindingDB Entry DOI: 10.7270/Q2QR4XCB
					More data for this Ligand-Target Pair