Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 347.4 BDBM463476

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

Found 2 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
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM463476 (3-(Azepan-1-yl)-2-phenylquinoxaline-6-carboxylic a...) Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCCCCC1 Show InChI InChI=1S/C21H21N3O2/c25-21(26)16-10-11-17-18(14-16)23-20(24-12-6-1-2-7-13-24)19(22-17)15-8-4-3-5-9-15/h3-5,8-11,14H,1-2,6-7,12-13H2,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioEnergenix LLC US Patent					Assay Description Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...				US Patent US10781185 (2020) BindingDB Entry DOI: 10.7270/Q2DR2ZKW
					More data for this Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase [879-1323] (Homo sapiens (Human))	BDBM463476 (3-(Azepan-1-yl)-2-phenylquinoxaline-6-carboxylic a...) Show SMILES OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)N1CCCCCC1 Show InChI InChI=1S/C21H21N3O2/c25-21(26)16-10-11-17-18(14-16)23-20(24-12-6-1-2-7-13-24)19(22-17)15-8-4-3-5-9-15/h3-5,8-11,14H,1-2,6-7,12-13H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) is...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D79FN2
					More data for this Ligand-Target Pair