BDBM50208590 CHEMBL3884104

SMILES: CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(c3)S(N)(=O)=O)n2)cc1C

InChI Key: InChIKey=ZOBDMHGXSCZHMZ-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 = 50208590   

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 JAK2 (Homo sapiens (Human))	BDBM50208590 (CHEMBL3884104) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(c3)S(N)(=O)=O)n2)cc1C Show InChI InChI=1S/C22H27N7O2S/c1-16-14-18(6-7-20(16)29-12-10-28(2)11-13-29)26-22-24-9-8-21(27-22)25-17-4-3-5-19(15-17)32(23,30)31/h3-9,14-15H,10-13H2,1-2H3,(H2,23,30,31)(H2,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	126	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))	BDBM50208590 (CHEMBL3884104) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(c3)S(N)(=O)=O)n2)cc1C Show InChI InChI=1S/C22H27N7O2S/c1-16-14-18(6-7-20(16)29-12-10-28(2)11-13-29)26-22-24-9-8-21(27-22)25-17-4-3-5-19(15-17)32(23,30)31/h3-9,14-15H,10-13H2,1-2H3,(H2,23,30,31)(H2,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50208590 (CHEMBL3884104) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(Nc3cccc(c3)S(N)(=O)=O)n2)cc1C Show InChI InChI=1S/C22H27N7O2S/c1-16-14-18(6-7-20(16)29-12-10-28(2)11-13-29)26-22-24-9-8-21(27-22)25-17-4-3-5-19(15-17)32(23,30)31/h3-9,14-15H,10-13H2,1-2H3,(H2,23,30,31)(H2,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+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