Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 395.4 BDBM67739Purchase

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))	BDBM67739 (7-butyl-3-methyl-8-[4-(phenylmethyl)-1-piperidinyl...) Show SMILES CCCCn1c(nc2n(C)c(=O)[nH]c(=O)c12)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H29N5O2/c1-3-4-12-27-18-19(25(2)22(29)24-20(18)28)23-21(27)26-13-10-17(11-14-26)15-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,24,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.27E+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)	BDBM67739 (7-butyl-3-methyl-8-[4-(phenylmethyl)-1-piperidinyl...) Show SMILES CCCCn1c(nc2n(C)c(=O)[nH]c(=O)c12)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H29N5O2/c1-3-4-12-27-18-19(25(2)22(29)24-20(18)28)23-21(27)26-13-10-17(11-14-26)15-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,24,28,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.38E+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)	BDBM67739 (7-butyl-3-methyl-8-[4-(phenylmethyl)-1-piperidinyl...) Show SMILES CCCCn1c(nc2n(C)c(=O)[nH]c(=O)c12)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H29N5O2/c1-3-4-12-27-18-19(25(2)22(29)24-20(18)28)23-21(27)26-13-10-17(11-14-26)15-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,24,28,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.38E+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