null

SMILES: CN1CCCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O

InChI Key: InChIKey=WQLHETUGEZSAQT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 463449   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM463449 (3-(4-Methyl-1,4-diazepan-1-yl)-2-phenylquinoxaline...) Show SMILES CN1CCCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H22N4O2/c1-24-10-5-11-25(13-12-24)20-19(15-6-3-2-4-7-15)22-17-9-8-16(21(26)27)14-18(17)23-20/h2-4,6-9,14H,5,10-13H2,1H3,(H,26,27)	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)
					More data for this Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM463449 (3-(4-Methyl-1,4-diazepan-1-yl)-2-phenylquinoxaline...) Show SMILES CN1CCCN(CC1)c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H22N4O2/c1-24-10-5-11-25(13-12-24)20-19(15-6-3-2-4-7-15)22-17-9-8-16(21(26)27)14-18(17)23-20/h2-4,6-9,14H,5,10-13H2,1H3,(H,26,27)	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 hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...				US Patent US10781185 (2020)
					More data for this Ligand-Target Pair