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 = 'BDBM487184'   

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))	BDBM487184 (2-Benzyl-3-naphthalen-1-yl-5-phenyl-4H-pyrazolo[1,...) Show SMILES O=c1cc([nH]c2c(c(Cc3ccccc3)nn12)-c1cccc2ccccc12)-c1ccccc1 |(1.49,-3.93,;1.49,-2.39,;2.83,-1.62,;2.83,-.08,;1.49,.69,;.16,-.08,;-1.3,.39,;-2.21,-.85,;-3.75,-.85,;-4.52,-2.19,;-6.06,-2.19,;-6.83,-3.52,;-6.06,-4.85,;-4.52,-4.85,;-3.75,-3.52,;-1.3,-2.1,;.16,-1.62,;-1.7,1.88,;-.61,2.97,;-1.01,4.46,;-2.5,4.85,;-3.59,3.77,;-5.08,4.16,;-6.17,3.08,;-5.77,1.59,;-4.28,1.19,;-3.19,2.28,;4.16,.69,;5.5,-.08,;6.83,.69,;6.83,2.23,;5.5,3,;4.16,2.23,)| Show InChI InChI=1S/C29H21N3O/c33-27-19-25(22-13-5-2-6-14-22)30-29-28(24-17-9-15-21-12-7-8-16-23(21)24)26(31-32(27)29)18-20-10-3-1-4-11-20/h1-17,19,30H,18H2	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
					More data for this Ligand-Target Pair