BDBM50208588 CHEMBL3884240

SMILES: NS(=O)(=O)c1cccc(Nc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)c1

InChI Key: InChIKey=STXCPEAJNNAAMI-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 = 50208588   

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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50208588 (CHEMBL3884240) Show SMILES NS(=O)(=O)c1cccc(Nc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)c1 Show InChI InChI=1S/C20H22N6O3S/c21-30(27,28)18-3-1-2-16(14-18)23-19-8-9-22-20(25-19)24-15-4-6-17(7-5-15)26-10-12-29-13-11-26/h1-9,14H,10-13H2,(H2,21,27,28)(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kasetsart University Curated by ChEMBL					Assay Description Inhibition of human JAK3 using poly (Glu:Tyr) as substrate				Eur J Med Chem 124: 896-905 (2016) Article DOI: 10.1016/j.ejmech.2016.08.055 BindingDB Entry DOI: 10.7270/Q2DF6T6Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50208588 (CHEMBL3884240) Show SMILES NS(=O)(=O)c1cccc(Nc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)c1 Show InChI InChI=1S/C20H22N6O3S/c21-30(27,28)18-3-1-2-16(14-18)23-19-8-9-22-20(25-19)24-15-4-6-17(7-5-15)26-10-12-29-13-11-26/h1-9,14H,10-13H2,(H2,21,27,28)(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Kasetsart University Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly (Glu:Tyr) as substrate				Eur J Med Chem 124: 896-905 (2016) Article DOI: 10.1016/j.ejmech.2016.08.055 BindingDB Entry DOI: 10.7270/Q2DF6T6Q
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50208588 (CHEMBL3884240) Show SMILES NS(=O)(=O)c1cccc(Nc2ccnc(Nc3ccc(cc3)N3CCOCC3)n2)c1 Show InChI InChI=1S/C20H22N6O3S/c21-30(27,28)18-3-1-2-16(14-18)23-19-8-9-22-20(25-19)24-15-4-6-17(7-5-15)26-10-12-29-13-11-26/h1-9,14H,10-13H2,(H2,21,27,28)(H2,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kasetsart University Curated by ChEMBL					Assay Description Inhibition of human EGFR using poly (Glu:Tyr) as substrate measured for 1.5 hrs by oregon green 488 dye-based fluorescence assay				Eur J Med Chem 124: 896-905 (2016) Article DOI: 10.1016/j.ejmech.2016.08.055 BindingDB Entry DOI: 10.7270/Q2DF6T6Q
					More data for this Ligand-Target Pair