BDBM50448449 CHEMBL3125667

SMILES: NS(=O)(=O)OCCn1cnc2c(Nc3ccc(F)cc3)nc(NCc3ccc(cc3)C3CCCCC3)nc12

InChI Key: InChIKey=SDEPDOGWVAMEDD-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 = 50448449   

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))	BDBM50448449 (CHEMBL3125667) Show SMILES NS(=O)(=O)OCCn1cnc2c(Nc3ccc(F)cc3)nc(NCc3ccc(cc3)C3CCCCC3)nc12 Show InChI InChI=1S/C26H30FN7O3S/c27-21-10-12-22(13-11-21)31-24-23-25(34(17-30-23)14-15-37-38(28,35)36)33-26(32-24)29-16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h6-13,17,19H,1-5,14-16H2,(H2,28,35,36)(H2,29,31,32,33)	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	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) after 20 mins				Bioorg Med Chem 21: 5618-28 (2013) Article DOI: 10.1016/j.bmc.2013.04.080 BindingDB Entry DOI: 10.7270/Q2125V53
					More data for this Ligand-Target Pair
Leukocyte tyrosine kinase receptor (Homo sapiens (Human))	BDBM50448449 (CHEMBL3125667) Show SMILES NS(=O)(=O)OCCn1cnc2c(Nc3ccc(F)cc3)nc(NCc3ccc(cc3)C3CCCCC3)nc12 Show InChI InChI=1S/C26H30FN7O3S/c27-21-10-12-22(13-11-21)31-24-23-25(34(17-30-23)14-15-37-38(28,35)36)33-26(32-24)29-16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h6-13,17,19H,1-5,14-16H2,(H2,28,35,36)(H2,29,31,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of TYK1 (unknown origin) after 20 mins				Bioorg Med Chem 21: 5618-28 (2013) Article DOI: 10.1016/j.bmc.2013.04.080 BindingDB Entry DOI: 10.7270/Q2125V53
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50448449 (CHEMBL3125667) Show SMILES NS(=O)(=O)OCCn1cnc2c(Nc3ccc(F)cc3)nc(NCc3ccc(cc3)C3CCCCC3)nc12 Show InChI InChI=1S/C26H30FN7O3S/c27-21-10-12-22(13-11-21)31-24-23-25(34(17-30-23)14-15-37-38(28,35)36)33-26(32-24)29-16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h6-13,17,19H,1-5,14-16H2,(H2,28,35,36)(H2,29,31,32,33)	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	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) after 20 mins				Bioorg Med Chem 21: 5618-28 (2013) Article DOI: 10.1016/j.bmc.2013.04.080 BindingDB Entry DOI: 10.7270/Q2125V53
					More data for this Ligand-Target Pair