BDBM50252233 CHEMBL4076911

SMILES: Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)c1[N+]([O-])=O)-c1ccccc1

InChI Key: InChIKey=CQFZJNWGLMMMCF-UHFFFAOYSA-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 = 50252233   

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 Chk1/2 (Homo sapiens (Human))	BDBM50252233 (CHEMBL4076911) Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)c1[N+]([O-])=O)-c1ccccc1 Show InChI InChI=1S/C23H16N6O5/c1-14-21(29(32)33)23(27(26-14)16-5-3-2-4-6-16)34-18-10-7-15(8-11-18)22-24-19-12-9-17(28(30)31)13-20(19)25-22/h2-13H,1H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
National Research Centre Curated by ChEMBL					Assay Description Inhibition of Chk2 (unknown origin) by ELISA based spectrophotometric analysis				Eur J Med Chem 134: 392-405 (2017) Article DOI: 10.1016/j.ejmech.2017.03.090 BindingDB Entry DOI: 10.7270/Q27P91T8
					More data for this Ligand-Target Pair