BDBM50355556 CHEMBL1910623

SMILES: COc1cc(c(OC)cc1-c1nc2ccccn2c1C=N[NH+]=C(N)[NH-])[N+]([O-])=O

InChI Key: InChIKey=FSHHYCRVVBWIDI-UHFFFAOYSA-O

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 = 50355556   

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))	BDBM50355556 (CHEMBL1910623) Show SMILES COc1cc(c(OC)cc1-c1nc2ccccn2c1C=N[NH+]=C(N)[NH-])[N+]([O-])=O |w:19.21,21.23| Show InChI InChI=1S/C17H16N7O4/c1-27-13-8-11(24(25)26)14(28-2)7-10(13)16-12(9-20-22-17(18)19)23-6-4-3-5-15(23)21-16/h3-9H,1-2H3,(H3-,18,19,22)/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50355556 (CHEMBL1910623) Show SMILES COc1cc(c(OC)cc1-c1nc2ccccn2c1C=N[NH+]=C(N)[NH-])[N+]([O-])=O |w:19.21,21.23| Show InChI InChI=1S/C17H16N7O4/c1-27-13-8-11(24(25)26)14(28-2)7-10(13)16-12(9-20-22-17(18)19)23-6-4-3-5-15(23)21-16/h3-9H,1-2H3,(H3-,18,19,22)/q-1/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50355556 (CHEMBL1910623) Show SMILES COc1cc(c(OC)cc1-c1nc2ccccn2c1C=N[NH+]=C(N)[NH-])[N+]([O-])=O |w:19.21,21.23| Show InChI InChI=1S/C17H16N7O4/c1-27-13-8-11(24(25)26)14(28-2)7-10(13)16-12(9-20-22-17(18)19)23-6-4-3-5-15(23)21-16/h3-9H,1-2H3,(H3-,18,19,22)/q-1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80E+3	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