Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'PAS domain-containing serine/threonine-protein kinase [879-1323]' and Ligand = 'BDBM487224'   

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))	BDBM487224 (3-(4-Chlorobenzyl)-5-(benzo[d][1,3]dioxol-5-yl)-2-...) Show SMILES Cc1nn2c([nH]c(cc2=O)-c2ccc3OCOc3c2)c1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C21H16ClN3O3/c1-12-16(8-13-2-5-15(22)6-3-13)21-23-17(10-20(26)25(21)24-12)14-4-7-18-19(9-14)28-11-27-18/h2-7,9-10,23H,8,11H2,1H3	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 3: In the presence of kinase and ATP, the Ulight-peptide is phosphorylated and captured by an anti-phospho-substrate antibody, which brings the...				US Patent US10953012 (2021) BindingDB Entry DOI: 10.7270/Q22F7RJN
					More data for this Ligand-Target Pair
PAS domain-containing serine/threonine-protein kinase [879-1323] (Homo sapiens (Human))	BDBM487224 (3-(4-Chlorobenzyl)-5-(benzo[d][1,3]dioxol-5-yl)-2-...) Show SMILES Cc1nn2c([nH]c(cc2=O)-c2ccc3OCOc3c2)c1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C21H16ClN3O3/c1-12-16(8-13-2-5-15(22)6-3-13)21-23-17(10-20(26)25(21)24-12)14-4-7-18-19(9-14)28-11-27-18/h2-7,9-10,23H,8,11H2,1H3	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