Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 377.3 BDBM67985

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))	BDBM67985 (5H-pyrimid[5,4-b]indol-4-yl-[(2,4,5-trimethoxybenz...) Show SMILES COc1cc(OC)c(OC)cc1CN=Nc1ncnc2c3ccccc3[nH]c12 |w:14.15| Show InChI InChI=1S/C20H19N5O3/c1-26-15-9-17(28-3)16(27-2)8-12(15)10-23-25-20-19-18(21-11-22-20)13-6-4-5-7-14(13)24-19/h4-9,11,24H,10H2,1-3H3/b25-23+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	280	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)	BDBM67985 (5H-pyrimid[5,4-b]indol-4-yl-[(2,4,5-trimethoxybenz...) Show SMILES COc1cc(OC)c(OC)cc1CN=Nc1ncnc2c3ccccc3[nH]c12 |w:14.15| Show InChI InChI=1S/C20H19N5O3/c1-26-15-9-17(28-3)16(27-2)8-12(15)10-23-25-20-19-18(21-11-22-20)13-6-4-5-7-14(13)24-19/h4-9,11,24H,10H2,1-3H3/b25-23+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.22E+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)	BDBM67985 (5H-pyrimid[5,4-b]indol-4-yl-[(2,4,5-trimethoxybenz...) Show SMILES COc1cc(OC)c(OC)cc1CN=Nc1ncnc2c3ccccc3[nH]c12 |w:14.15| Show InChI InChI=1S/C20H19N5O3/c1-26-15-9-17(28-3)16(27-2)8-12(15)10-23-25-20-19-18(21-11-22-20)13-6-4-5-7-14(13)24-19/h4-9,11,24H,10H2,1-3H3/b25-23+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.22E+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