null

SMILES: O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2cc(n[nH]2)-c2ccccc2)n1

InChI Key: InChIKey=LGNXDJXJRVGNAT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50433487   

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))	BDBM50433487 (CHEMBL2381250) Show SMILES O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2cc(n[nH]2)-c2ccccc2)n1 Show InChI InChI=1S/C23H23N7OS/c31-22(25-17-8-4-5-9-20(17)30-12-10-24-11-13-30)19-15-32-23(26-19)27-21-14-18(28-29-21)16-6-2-1-3-7-16/h1-9,14-15,24H,10-13H2,(H,25,31)(H2,26,27,28,29)	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	14	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))	BDBM50433487 (CHEMBL2381250) Show SMILES O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2cc(n[nH]2)-c2ccccc2)n1 Show InChI InChI=1S/C23H23N7OS/c31-22(25-17-8-4-5-9-20(17)30-12-10-24-11-13-30)19-15-32-23(26-19)27-21-14-18(28-29-21)16-6-2-1-3-7-16/h1-9,14-15,24H,10-13H2,(H,25,31)(H2,26,27,28,29)	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	7.50E+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