BDBM463458 3-(4-Fluorophenyl)-2-(4-(4-methoxyphenyl)piperidin-1-yl)quinoxaline-6-carboxylic acid::US10781185, Example 26

SMILES: COc1ccc(cc1)C1CCN(CC1)c1nc2ccc(cc2nc1-c1ccc(F)cc1)C(O)=O

InChI Key: InChIKey=DKHGDKUUKKIFFR-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 463458   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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 (Homo sapiens (Human))	BDBM463458 (3-(4-Fluorophenyl)-2-(4-(4-methoxyphenyl)piperidin...) Show SMILES COc1ccc(cc1)C1CCN(CC1)c1nc2ccc(cc2nc1-c1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C27H24FN3O3/c1-34-22-9-4-17(5-10-22)18-12-14-31(15-13-18)26-25(19-2-7-21(28)8-3-19)29-24-16-20(27(32)33)6-11-23(24)30-26/h2-11,16,18H,12-15H2,1H3,(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioEnergenix LLC US Patent					Assay Description Purified PASK (UniProt # Q96RG2; human recombinant N-terminal GST tagged construct, residues 879-1323) from insect cells (final concentration 5 nM) i...				US Patent US10781185 (2020)
					More data for this Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM463458 (3-(4-Fluorophenyl)-2-(4-(4-methoxyphenyl)piperidin...) Show SMILES COc1ccc(cc1)C1CCN(CC1)c1nc2ccc(cc2nc1-c1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C27H24FN3O3/c1-34-22-9-4-17(5-10-22)18-12-14-31(15-13-18)26-25(19-2-7-21(28)8-3-19)29-24-16-20(27(32)33)6-11-23(24)30-26/h2-11,16,18H,12-15H2,1H3,(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioEnergenix LLC US Patent					Assay Description Purified hPASK from insect cells (0.02 μg) is added to a 50 μL reaction mix containing 40 mM HEPES (pH 7.0), 100 mM KCl, 5 mM MgCl2, 1 mM D...				US Patent US10781185 (2020)
					More data for this Ligand-Target Pair