Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 364.4 BDBM67892Purchase

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))	BDBM67892 ((Z)-2-cyano-N-cycloheptyl-3-[5-(4-methoxyphenyl)-1...) Show SMILES COc1ccc(cc1)-c1n[nH]cc1C=C(C#N)C(=O)NC1CCCCCC1 |w:13.14| Show InChI InChI=1S/C21H24N4O2/c1-27-19-10-8-15(9-11-19)20-17(14-23-25-20)12-16(13-22)21(26)24-18-6-4-2-3-5-7-18/h8-12,14,18H,2-7H2,1H3,(H,23,25)(H,24,26)/b16-12-	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.90E+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)	BDBM67892 ((Z)-2-cyano-N-cycloheptyl-3-[5-(4-methoxyphenyl)-1...) Show SMILES COc1ccc(cc1)-c1n[nH]cc1C=C(C#N)C(=O)NC1CCCCCC1 |w:13.14| Show InChI InChI=1S/C21H24N4O2/c1-27-19-10-8-15(9-11-19)20-17(14-23-25-20)12-16(13-22)21(26)24-18-6-4-2-3-5-7-18/h8-12,14,18H,2-7H2,1H3,(H,23,25)(H,24,26)/b16-12-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.45E+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/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67892 ((Z)-2-cyano-N-cycloheptyl-3-[5-(4-methoxyphenyl)-1...) Show SMILES COc1ccc(cc1)-c1n[nH]cc1C=C(C#N)C(=O)NC1CCCCCC1 |w:13.14| Show InChI InChI=1S/C21H24N4O2/c1-27-19-10-8-15(9-11-19)20-17(14-23-25-20)12-16(13-22)21(26)24-18-6-4-2-3-5-7-18/h8-12,14,18H,2-7H2,1H3,(H,23,25)(H,24,26)/b16-12-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.45E+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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair