Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 314.4 BDBM68164Purchase

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

Found 3 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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM68164 (2-(4-tert-butylphenoxy)-N-(1-cyclohex-3-enylmethyl...) Show SMILES CC(C)(C)c1ccc(OCC(=O)NN=CC2CCC=CC2)cc1 |w:13.12,c:18| Show InChI InChI=1S/C19H26N2O2/c1-19(2,3)16-9-11-17(12-10-16)23-14-18(22)21-20-13-15-7-5-4-6-8-15/h4-5,9-13,15H,6-8,14H2,1-3H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68164 (2-(4-tert-butylphenoxy)-N-(1-cyclohex-3-enylmethyl...) Show SMILES CC(C)(C)c1ccc(OCC(=O)NN=CC2CCC=CC2)cc1 |w:13.12,c:18| Show InChI InChI=1S/C19H26N2O2/c1-19(2,3)16-9-11-17(12-10-16)23-14-18(22)21-20-13-15-7-5-4-6-8-15/h4-5,9-13,15H,6-8,14H2,1-3H3,(H,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68164 (2-(4-tert-butylphenoxy)-N-(1-cyclohex-3-enylmethyl...) Show SMILES CC(C)(C)c1ccc(OCC(=O)NN=CC2CCC=CC2)cc1 |w:13.12,c:18| Show InChI InChI=1S/C19H26N2O2/c1-19(2,3)16-9-11-17(12-10-16)23-14-18(22)21-20-13-15-7-5-4-6-8-15/h4-5,9-13,15H,6-8,14H2,1-3H3,(H,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair