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SMILES: CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2OCOc2c1)C(O)=O

InChI Key: InChIKey=YRKANMKKKIUCMP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 463495   

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))	BDBM463495 (2-(Benzo[d][1,3]dioxol-5-yl)-3-(isopropyl(methyl)a...) Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C20H19N3O4/c1-11(2)23(3)19-18(12-5-7-16-17(9-12)27-10-26-16)21-14-6-4-13(20(24)25)8-15(14)22-19/h4-9,11H,10H2,1-3H3,(H,24,25)	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 Compound screening was done via the following method. 10 mM stock solution of test compound in DMSO was prepared by dissolving test compound in DMSO ...				US Patent US10781185 (2020)
					More data for this Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase (Homo sapiens (Human))	BDBM463495 (2-(Benzo[d][1,3]dioxol-5-yl)-3-(isopropyl(methyl)a...) Show SMILES CC(C)N(C)c1nc2cc(ccc2nc1-c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C20H19N3O4/c1-11(2)23(3)19-18(12-5-7-16-17(9-12)27-10-26-16)21-14-6-4-13(20(24)25)8-15(14)22-19/h4-9,11H,10H2,1-3H3,(H,24,25)	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