Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 347.4 BDBM463491

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
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM463491 (3-(Cyclopentyl(methyl)amino)-2-phenylquinoxaline-6...) Show SMILES CN(C1CCCC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H21N3O2/c1-24(16-9-5-6-10-16)20-19(14-7-3-2-4-8-14)22-17-12-11-15(21(25)26)13-18(17)23-20/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(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 (Homo sapiens (Human))	BDBM463491 (3-(Cyclopentyl(methyl)amino)-2-phenylquinoxaline-6...) Show SMILES CN(C1CCCC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H21N3O2/c1-24(16-9-5-6-10-16)20-19(14-7-3-2-4-8-14)22-17-12-11-15(21(25)26)13-18(17)23-20/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(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 Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...				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))	BDBM463491 (3-(Cyclopentyl(methyl)amino)-2-phenylquinoxaline-6...) Show SMILES CN(C1CCCC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H21N3O2/c1-24(16-9-5-6-10-16)20-19(14-7-3-2-4-8-14)22-17-12-11-15(21(25)26)13-18(17)23-20/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(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
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM463491 (3-(Cyclopentyl(methyl)amino)-2-phenylquinoxaline-6...) Show SMILES CN(C1CCCC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H21N3O2/c1-24(16-9-5-6-10-16)20-19(14-7-3-2-4-8-14)22-17-12-11-15(21(25)26)13-18(17)23-20/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(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+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The aim of the FRET assay is to determine the inhibition potential of test compounds on targeted kinase. This assay platform provides a homogenous sc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2D79FN2
					More data for this Ligand-Target Pair