Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM402003'   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402003 (5-[[5-[4-[(1-ethyl-4-piperidyl)amino]-2-methoxy-ph...) Show SMILES CCN1CCC(CC1)Nc1ccc(-c2cc(Nc3cnc(cn3)C#N)n[nH]2)c(OC)c1 Show InChI InChI=1S/C22H26N8O/c1-3-30-8-6-15(7-9-30)26-16-4-5-18(20(10-16)31-2)19-11-21(29-28-19)27-22-14-24-17(12-23)13-25-22/h4-5,10-11,13-15,26H,3,6-9H2,1-2H3,(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402003 (5-[[5-[4-[(1-ethyl-4-piperidyl)amino]-2-methoxy-ph...) Show SMILES CCN1CCC(CC1)Nc1ccc(-c2cc(Nc3cnc(cn3)C#N)n[nH]2)c(OC)c1 Show InChI InChI=1S/C22H26N8O/c1-3-30-8-6-15(7-9-30)26-16-4-5-18(20(10-16)31-2)19-11-21(29-28-19)27-22-14-24-17(12-23)13-25-22/h4-5,10-11,13-15,26H,3,6-9H2,1-2H3,(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair