Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 389.4 BDBM68044Purchase

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

Found 5 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)	BDBM68044 (1-(1-naphthalenyloxy)-3-[2-[4-(trifluoromethyl)phe...) Show SMILES OC(CNCCc1ccc(cc1)C(F)(F)F)COc1cccc2ccccc12 Show InChI InChI=1S/C22H22F3NO2/c23-22(24,25)18-10-8-16(9-11-18)12-13-26-14-19(27)15-28-21-7-3-5-17-4-1-2-6-20(17)21/h1-11,19,26-27H,12-15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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))	BDBM68044 (1-(1-naphthalenyloxy)-3-[2-[4-(trifluoromethyl)phe...) Show SMILES OC(CNCCc1ccc(cc1)C(F)(F)F)COc1cccc2ccccc12 Show InChI InChI=1S/C22H22F3NO2/c23-22(24,25)18-10-8-16(9-11-18)12-13-26-14-19(27)15-28-21-7-3-5-17-4-1-2-6-20(17)21/h1-11,19,26-27H,12-15H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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)	BDBM68044 (1-(1-naphthalenyloxy)-3-[2-[4-(trifluoromethyl)phe...) Show SMILES OC(CNCCc1ccc(cc1)C(F)(F)F)COc1cccc2ccccc12 Show InChI InChI=1S/C22H22F3NO2/c23-22(24,25)18-10-8-16(9-11-18)12-13-26-14-19(27)15-28-21-7-3-5-17-4-1-2-6-20(17)21/h1-11,19,26-27H,12-15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM68044 (1-(1-naphthalenyloxy)-3-[2-[4-(trifluoromethyl)phe...) Show SMILES OC(CNCCc1ccc(cc1)C(F)(F)F)COc1cccc2ccccc12 Show InChI InChI=1S/C22H22F3NO2/c23-22(24,25)18-10-8-16(9-11-18)12-13-26-14-19(27)15-28-21-7-3-5-17-4-1-2-6-20(17)21/h1-11,19,26-27H,12-15H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.92E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2QC0233
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM68044 (1-(1-naphthalenyloxy)-3-[2-[4-(trifluoromethyl)phe...) Show SMILES OC(CNCCc1ccc(cc1)C(F)(F)F)COc1cccc2ccccc12 Show InChI InChI=1S/C22H22F3NO2/c23-22(24,25)18-10-8-16(9-11-18)12-13-26-14-19(27)15-28-21-7-3-5-17-4-1-2-6-20(17)21/h1-11,19,26-27H,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2KK99CT
					More data for this Ligand-Target Pair