Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 452.5 BDBM67741Purchase

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))	BDBM67741 (7-hexyl-1,3-dimethyl-8-[[4-(phenylmethyl)-1-pipera...) Show SMILES CCCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C25H36N6O2/c1-4-5-6-10-13-31-21(26-23-22(31)24(32)28(3)25(33)27(23)2)19-30-16-14-29(15-17-30)18-20-11-8-7-9-12-20/h7-9,11-12H,4-6,10,13-19H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.23E+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)	BDBM67741 (7-hexyl-1,3-dimethyl-8-[[4-(phenylmethyl)-1-pipera...) Show SMILES CCCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C25H36N6O2/c1-4-5-6-10-13-31-21(26-23-22(31)24(32)28(3)25(33)27(23)2)19-30-16-14-29(15-17-30)18-20-11-8-7-9-12-20/h7-9,11-12H,4-6,10,13-19H2,1-3H3	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)	BDBM67741 (7-hexyl-1,3-dimethyl-8-[[4-(phenylmethyl)-1-pipera...) Show SMILES CCCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C25H36N6O2/c1-4-5-6-10-13-31-21(26-23-22(31)24(32)28(3)25(33)27(23)2)19-30-16-14-29(15-17-30)18-20-11-8-7-9-12-20/h7-9,11-12H,4-6,10,13-19H2,1-3H3	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