Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 404.4 BDBM60566

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60566 (2-(2-nitrophenoxy)-N''-[(4-oxidanylidenecyclohexa-...) Show SMILES CCCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12 Show InChI InChI=1S/C15H13N3O5/c19-12-7-5-11(6-8-12)9-16-17-15(20)10-23-14-4-2-1-3-13(14)18(21)22/h1-9,19H,10H2,(H,17,20)/b16-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM60566 (2-(2-nitrophenoxy)-N''-[(4-oxidanylidenecyclohexa-...) Show SMILES CCCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12 Show InChI InChI=1S/C15H13N3O5/c19-12-7-5-11(6-8-12)9-16-17-15(20)10-23-14-4-2-1-3-13(14)18(21)22/h1-9,19H,10H2,(H,17,20)/b16-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.11E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TX3CTT
					More data for this Ligand-Target Pair