BDBM50355572 CHEMBL1910746

SMILES: COc1cc(c(OC)cc1-c1nc2sc(Cl)cn2c1\C=N\NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cc(OC)c(cc1OC)[N+]([O-])=O)[N+]([O-])=O

InChI Key: InChIKey=RFDSTFAKPLBCAT-HDMIYARESA-N

Data: 3 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 3 hits for monomerid = 50355572   

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))	BDBM50355572 (CHEMBL1910746) Show SMILES COc1cc(c(OC)cc1-c1nc2sc(Cl)cn2c1\C=N\NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cc(OC)c(cc1OC)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C29H23Cl2N11O8S2/c1-47-19-7-15(41(43)44)21(49-3)5-13(19)25-17(39-11-23(30)51-28(39)35-25)9-33-37-27(32)38-34-10-18-26(36-29-40(18)12-24(31)52-29)14-6-22(50-4)16(42(45)46)8-20(14)48-2/h5-12H,1-4H3,(H3,32,37,38)/b33-9+,34-10+	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay				Eur J Med Chem 46: 4311-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.001 BindingDB Entry DOI: 10.7270/Q2NG4R1D
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase CHK2 (Homo sapiens (Human))	BDBM50355572 (CHEMBL1910746) Show SMILES COc1cc(c(OC)cc1-c1nc2sc(Cl)cn2c1\C=N\NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cc(OC)c(cc1OC)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C29H23Cl2N11O8S2/c1-47-19-7-15(41(43)44)21(49-3)5-13(19)25-17(39-11-23(30)51-28(39)35-25)9-33-37-27(32)38-34-10-18-26(36-29-40(18)12-24(31)52-29)14-6-22(50-4)16(42(45)46)8-20(14)48-2/h5-12H,1-4H3,(H3,32,37,38)/b33-9+,34-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay				Eur J Med Chem 46: 4311-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.001 BindingDB Entry DOI: 10.7270/Q2NG4R1D
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50355572 (CHEMBL1910746) Show SMILES COc1cc(c(OC)cc1-c1nc2sc(Cl)cn2c1\C=N\NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cc(OC)c(cc1OC)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C29H23Cl2N11O8S2/c1-47-19-7-15(41(43)44)21(49-3)5-13(19)25-17(39-11-23(30)51-28(39)35-25)9-33-37-27(32)38-34-10-18-26(36-29-40(18)12-24(31)52-29)14-6-22(50-4)16(42(45)46)8-20(14)48-2/h5-12H,1-4H3,(H3,32,37,38)/b33-9+,34-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bologna Curated by ChEMBL					Assay Description Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay				Eur J Med Chem 46: 4311-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.001 BindingDB Entry DOI: 10.7270/Q2NG4R1D
					More data for this Ligand-Target Pair