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 = 'BDBM487225'   

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))	BDBM487225 (3-(4-Fluorophenyl)-2-methyl-5-(pyridin-3-yl)pyrazo...) Show SMILES Cc1nn2c([nH]c(cc2=O)-c2cccnc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C18H13FN4O/c1-11-17(12-4-6-14(19)7-5-12)18-21-15(9-16(24)23(18)22-11)13-3-2-8-20-10-13/h2-10,21H,1H3	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
BioEnergenix LLC US Patent					Assay Description Table 2: Purified PASK (UniProt #Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration...				US Patent US10953012 (2021) BindingDB Entry DOI: 10.7270/Q22F7RJN
					More data for this Ligand-Target Pair