Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 321.4 BDBM30833

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM30833 (2-amino-1-(2-ethylhexyl)-3-pyrrolo[3,2-b]quinoxali...) Show SMILES CCCCC(CC)Cn1c(N)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C19H23N5/c1-3-5-8-13(4-2)12-24-18(21)14(11-20)17-19(24)23-16-10-7-6-9-15(16)22-17/h6-7,9-10,13H,3-5,8,12,21H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.92E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM30833 (2-amino-1-(2-ethylhexyl)-3-pyrrolo[3,2-b]quinoxali...) Show SMILES CCCCC(CC)Cn1c(N)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C19H23N5/c1-3-5-8-13(4-2)12-24-18(21)14(11-20)17-19(24)23-16-10-7-6-9-15(16)22-17/h6-7,9-10,13H,3-5,8,12,21H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.92E+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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM30833 (2-amino-1-(2-ethylhexyl)-3-pyrrolo[3,2-b]quinoxali...) Show SMILES CCCCC(CC)Cn1c(N)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C19H23N5/c1-3-5-8-13(4-2)12-24-18(21)14(11-20)17-19(24)23-16-10-7-6-9-15(16)22-17/h6-7,9-10,13H,3-5,8,12,21H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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/Q2NK3CGB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM30833 (2-amino-1-(2-ethylhexyl)-3-pyrrolo[3,2-b]quinoxali...) Show SMILES CCCCC(CC)Cn1c(N)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C19H23N5/c1-3-5-8-13(4-2)12-24-18(21)14(11-20)17-19(24)23-16-10-7-6-9-15(16)22-17/h6-7,9-10,13H,3-5,8,12,21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.41E+4	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q21N7ZG0
					More data for this Ligand-Target Pair