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 = 'BDBM487192'   

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))	BDBM487192 (2-Benzyl-3-(4-chloro-phenyl)-5-propyl-4H-pyrazolo[...) Show SMILES CCCc1cc(=O)n2nc(Cc3ccccc3)c(-c3ccc(Cl)cc3)c2[nH]1 Show InChI InChI=1S/C22H20ClN3O/c1-2-6-18-14-20(27)26-22(24-18)21(16-9-11-17(23)12-10-16)19(25-26)13-15-7-4-3-5-8-15/h3-5,7-12,14,24H,2,6,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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
BioEnergenix LLC US Patent					Assay Description Table 1: One assay for purified hPASK activity utilizes the Kinase-Glo Luminescent Kinase Assay (Promega), which quantifies the amount of ATP remaini...				US Patent US10953012 (2021) BindingDB Entry DOI: 10.7270/Q22F7RJN
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