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 = 'BDBM463482'   

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))	BDBM463482 ((R)-3-(2-(Methoxymethyl)pyrrolidin-1-yl)-2-phenylq...) Show SMILES COC[C@H]1CCCN1c1nc2cc(ccc2nc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H21N3O3/c1-27-13-16-8-5-11-24(16)20-19(14-6-3-2-4-7-14)22-17-10-9-15(21(25)26)12-18(17)23-20/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,25,26)/t16-/m1/s1	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
					More data for this Ligand-Target Pair