Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'PAS domain-containing serine/threonine-protein kinase [879-1323]' and Ligand = 'BDBM463449'   

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 [879-1323] (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 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
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