Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 316.4 BDBM68158Purchase

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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68158 (MLS001033111 | N-(cyclohexylmethyleneamino)-2-(2-i...) Show SMILES CC(C)c1ccc(C)cc1OCC(=O)NN=CC1CCCCC1 |w:15.15| Show InChI InChI=1S/C19H28N2O2/c1-14(2)17-10-9-15(3)11-18(17)23-13-19(22)21-20-12-16-7-5-4-6-8-16/h9-12,14,16H,4-8,13H2,1-3H3,(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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM68158 (MLS001033111 | N-(cyclohexylmethyleneamino)-2-(2-i...) Show SMILES CC(C)c1ccc(C)cc1OCC(=O)NN=CC1CCCCC1 |w:15.15| Show InChI InChI=1S/C19H28N2O2/c1-14(2)17-10-9-15(3)11-18(17)23-13-19(22)21-20-12-16-7-5-4-6-8-16/h9-12,14,16H,4-8,13H2,1-3H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia 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/Q2NK3CGB
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68158 (MLS001033111 | N-(cyclohexylmethyleneamino)-2-(2-i...) Show SMILES CC(C)c1ccc(C)cc1OCC(=O)NN=CC1CCCCC1 |w:15.15| Show InChI InChI=1S/C19H28N2O2/c1-14(2)17-10-9-15(3)11-18(17)23-13-19(22)21-20-12-16-7-5-4-6-8-16/h9-12,14,16H,4-8,13H2,1-3H3,(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