Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM329002'   

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))	BDBM329002 (1137478-40-0 | US11787792, Compound Y-149 | US9663...) Show SMILES COCCOc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C24H27N7O3/c1-32-8-9-34-19-4-2-17(3-5-19)21-15-30-23(31-24-16-27-18(11-25)12-29-24)10-22(21)28-14-20-13-26-6-7-33-20/h2-5,10,12,15-16,20,26H,6-9,13-14H2,1H3,(H2,28,29,30,31)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM329002 (1137478-40-0 | US11787792, Compound Y-149 | US9663...) Show SMILES COCCOc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C24H27N7O3/c1-32-8-9-34-19-4-2-17(3-5-19)21-15-30-23(31-24-16-27-18(11-25)12-29-24)10-22(21)28-14-20-13-26-6-7-33-20/h2-5,10,12,15-16,20,26H,6-9,13-14H2,1H3,(H2,28,29,30,31)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description CHK1 kinase activity was measured in a microfluidic assay that monitors the separation of a phosphorylated product from its substrate. The assay was ...				US Patent US9663503 (2017) BindingDB Entry DOI: 10.7270/Q2T43W7G
					More data for this Ligand-Target Pair