Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 387.2 BDBM67825

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))	BDBM67825 ((6E)-4-bromanyl-6-(3-cyclohexylimino-1,7-dihydroim...) Show SMILES Oc1ccc(Br)cc1-c1nc2c[nH]ccn2c1=NC1CCCCC1 |w:17.20| Show InChI InChI=1S/C18H19BrN4O/c19-12-6-7-15(24)14(10-12)17-18(21-13-4-2-1-3-5-13)23-9-8-20-11-16(23)22-17/h6-11,13,20,24H,1-5H2/b21-18-	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.98E+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)	BDBM67825 ((6E)-4-bromanyl-6-(3-cyclohexylimino-1,7-dihydroim...) Show SMILES Oc1ccc(Br)cc1-c1nc2c[nH]ccn2c1=NC1CCCCC1 |w:17.20| Show InChI InChI=1S/C18H19BrN4O/c19-12-6-7-15(24)14(10-12)17-18(21-13-4-2-1-3-5-13)23-9-8-20-11-16(23)22-17/h6-11,13,20,24H,1-5H2/b21-18-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.31E+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)	BDBM67825 ((6E)-4-bromanyl-6-(3-cyclohexylimino-1,7-dihydroim...) Show SMILES Oc1ccc(Br)cc1-c1nc2c[nH]ccn2c1=NC1CCCCC1 |w:17.20| Show InChI InChI=1S/C18H19BrN4O/c19-12-6-7-15(24)14(10-12)17-18(21-13-4-2-1-3-5-13)23-9-8-20-11-16(23)22-17/h6-11,13,20,24H,1-5H2/b21-18-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	6.31E+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