BDBM50252253 CHEMBL4093249

SMILES: Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(=O)NC2CCCCC2)c1[N+]([O-])=O)-c1ccccc1

InChI Key: InChIKey=JWKFMWDGISNHSK-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 = 50252253   

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))	BDBM50252253 (CHEMBL4093249) Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(=O)NC2CCCCC2)c1[N+]([O-])=O)-c1ccccc1 Show InChI InChI=1S/C30H28N6O4/c1-19-27(36(38)39)30(35(34-19)23-10-6-3-7-11-23)40-24-15-12-20(13-16-24)28-32-25-17-14-21(18-26(25)33-28)29(37)31-22-8-4-2-5-9-22/h3,6-7,10-18,22H,2,4-5,8-9H2,1H3,(H,31,37)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	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