null

SMILES: O=C(Nc1cnccc1N1CCNCC1)c1csc(n1)-c1ccc2[nH]ccc2c1

InChI Key: InChIKey=XKZZOSWXBFUKQZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50433485   

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))	BDBM50433485 (CHEMBL2381110) Show SMILES O=C(Nc1cnccc1N1CCNCC1)c1csc(n1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C21H20N6OS/c28-20(25-17-12-23-5-4-19(17)27-9-7-22-8-10-27)18-13-29-21(26-18)15-1-2-16-14(11-15)3-6-24-16/h1-6,11-13,22,24H,7-10H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged CHK1 (unknown origin) expressed in baculovirus expression system using biotin-RSGLYRSPSMPENLNRPR as substrate af...				Bioorg Med Chem Lett 23: 2590-4 (2013) Article DOI: 10.1016/j.bmcl.2013.02.108 BindingDB Entry DOI: 10.7270/Q2125V19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50433485 (CHEMBL2381110) Show SMILES O=C(Nc1cnccc1N1CCNCC1)c1csc(n1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C21H20N6OS/c28-20(25-17-12-23-5-4-19(17)27-9-7-22-8-10-27)18-13-29-21(26-18)15-1-2-16-14(11-15)3-6-24-16/h1-6,11-13,22,24H,7-10H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CHK1 in human U2OS cells assessed as phosphorylation of H2AX after 2 hrs by FITC/propidium iodide staining-based immunofluorescence ass...				Bioorg Med Chem Lett 23: 2590-4 (2013) Article DOI: 10.1016/j.bmcl.2013.02.108 BindingDB Entry DOI: 10.7270/Q2125V19
					More data for this Ligand-Target Pair