Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 463.5 BDBM67839Purchase

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))	BDBM67839 (2-amino-7-hydroxy-4',4',6'-trimethyl-2...) Show SMILES CC1(C)CC(C)(c2ccccc2)c2cccc3c2N1C(=O)C31C(C#N)=C(N)Oc2cc(O)ccc12 |t:28| Show InChI InChI=1S/C29H25N3O3/c1-27(2)16-28(3,17-8-5-4-6-9-17)20-10-7-11-21-24(20)32(27)26(34)29(21)19-13-12-18(33)14-23(19)35-25(31)22(29)15-30/h4-14,33H,16,31H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.34E+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)	BDBM67839 (2-amino-7-hydroxy-4',4',6'-trimethyl-2...) Show SMILES CC1(C)CC(C)(c2ccccc2)c2cccc3c2N1C(=O)C31C(C#N)=C(N)Oc2cc(O)ccc12 |t:28| Show InChI InChI=1S/C29H25N3O3/c1-27(2)16-28(3,17-8-5-4-6-9-17)20-10-7-11-21-24(20)32(27)26(34)29(21)19-13-12-18(33)14-23(19)35-25(31)22(29)15-30/h4-14,33H,16,31H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.60E+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)	BDBM67839 (2-amino-7-hydroxy-4',4',6'-trimethyl-2...) Show SMILES CC1(C)CC(C)(c2ccccc2)c2cccc3c2N1C(=O)C31C(C#N)=C(N)Oc2cc(O)ccc12 |t:28| Show InChI InChI=1S/C29H25N3O3/c1-27(2)16-28(3,17-8-5-4-6-9-17)20-10-7-11-21-24(20)32(27)26(34)29(21)19-13-12-18(33)14-23(19)35-25(31)22(29)15-30/h4-14,33H,16,31H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.60E+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