BDBM329006 1137478-51-3::US9663503, Compound Y-157

SMILES: COCCOc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1

InChI Key: InChIKey=JZMMIRSZDIQCEQ-HXUWFJFHSA-N

Data: 1 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 1 hit for monomerid = 329006   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM329006 (1137478-51-3 | US9663503, Compound Y-157) 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-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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