Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 435.4 BDBM67988Purchase

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))	BDBM67988 (2-(phenoxymethyl)-3-[[(E)-[3-(p-tolyl)pyrazol-4-yl...) Show SMILES Cc1ccc(cc1)-c1n[nH]cc1C=Nn1c(COc2ccccc2)nc2ccccc2c1=O |w:13.15| Show InChI InChI=1S/C26H21N5O2/c1-18-11-13-19(14-12-18)25-20(15-27-30-25)16-28-31-24(17-33-21-7-3-2-4-8-21)29-23-10-6-5-9-22(23)26(31)32/h2-16H,17H2,1H3,(H,27,30)/b28-16+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.19E+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)	BDBM67988 (2-(phenoxymethyl)-3-[[(E)-[3-(p-tolyl)pyrazol-4-yl...) Show SMILES Cc1ccc(cc1)-c1n[nH]cc1C=Nn1c(COc2ccccc2)nc2ccccc2c1=O |w:13.15| Show InChI InChI=1S/C26H21N5O2/c1-18-11-13-19(14-12-18)25-20(15-27-30-25)16-28-31-24(17-33-21-7-3-2-4-8-21)29-23-10-6-5-9-22(23)26(31)32/h2-16H,17H2,1H3,(H,27,30)/b28-16+	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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67988 (2-(phenoxymethyl)-3-[[(E)-[3-(p-tolyl)pyrazol-4-yl...) Show SMILES Cc1ccc(cc1)-c1n[nH]cc1C=Nn1c(COc2ccccc2)nc2ccccc2c1=O |w:13.15| Show InChI InChI=1S/C26H21N5O2/c1-18-11-13-19(14-12-18)25-20(15-27-30-25)16-28-31-24(17-33-21-7-3-2-4-8-21)29-23-10-6-5-9-22(23)26(31)32/h2-16H,17H2,1H3,(H,27,30)/b28-16+	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