Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 337.2 BDBM67822Purchase

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)	BDBM67822 (1-[2-(2,4-dichlorophenoxy)ethyl]-3-methyl-1,3-dihy...) Show SMILES Cn1c2ccccc2n(CCOc2ccc(Cl)cc2Cl)c1=O Show InChI InChI=1S/C16H14Cl2N2O2/c1-19-13-4-2-3-5-14(13)20(16(19)21)8-9-22-15-7-6-11(17)10-12(15)18/h2-7,10H,8-9H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	610	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)	BDBM67822 (1-[2-(2,4-dichlorophenoxy)ethyl]-3-methyl-1,3-dihy...) Show SMILES Cn1c2ccccc2n(CCOc2ccc(Cl)cc2Cl)c1=O Show InChI InChI=1S/C16H14Cl2N2O2/c1-19-13-4-2-3-5-14(13)20(16(19)21)8-9-22-15-7-6-11(17)10-12(15)18/h2-7,10H,8-9H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	610	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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67822 (1-[2-(2,4-dichlorophenoxy)ethyl]-3-methyl-1,3-dihy...) Show SMILES Cn1c2ccccc2n(CCOc2ccc(Cl)cc2Cl)c1=O Show InChI InChI=1S/C16H14Cl2N2O2/c1-19-13-4-2-3-5-14(13)20(16(19)21)8-9-22-15-7-6-11(17)10-12(15)18/h2-7,10H,8-9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.75E+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
Arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1 (Homo sapiens (Human))	BDBM67822 (1-[2-(2,4-dichlorophenoxy)ethyl]-3-methyl-1,3-dihy...) Show SMILES Cn1c2ccccc2n(CCOc2ccc(Cl)cc2Cl)c1=O Show InChI InChI=1S/C16H14Cl2N2O2/c1-19-13-4-2-3-5-14(13)20(16(19)21)8-9-22-15-7-6-11(17)10-12(15)18/h2-7,10H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q20K275C
					More data for this Ligand-Target Pair
ADP-ribosylation factor GTPase-activating protein 1 (Rattus norvegicus)	BDBM67822 (1-[2-(2,4-dichlorophenoxy)ethyl]-3-methyl-1,3-dihy...) Show SMILES Cn1c2ccccc2n(CCOc2ccc(Cl)cc2Cl)c1=O Show InChI InChI=1S/C16H14Cl2N2O2/c1-19-13-4-2-3-5-14(13)20(16(19)21)8-9-22-15-7-6-11(17)10-12(15)18/h2-7,10H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2Q52N82
					More data for this Ligand-Target Pair