BDBM50291407 CHEMBL4176212

SMILES: Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c1\C=N\Nc1ccc(cc1)[N+]([O-])=O)-c1ccccc1

InChI Key: InChIKey=CRMIZQZMHWKLKM-KCSSXMTESA-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 = 50291407   

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 Chk2 (Homo sapiens (Human))	BDBM50291407 (CHEMBL4176212) Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c1\C=N\Nc1ccc(cc1)[N+]([O-])=O)-c1ccccc1 Show InChI InChI=1S/C31H23N7O5/c1-19-26(18-32-35-22-10-12-24(13-11-22)38(41)42)30(37(36-19)23-5-3-2-4-6-23)43-25-14-7-20(8-15-25)29-33-27-16-9-21(31(39)40)17-28(27)34-29/h2-18,35H,1H3,(H,33,34)(H,39,40)/b32-18+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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 spectrophotometric analysis				Eur J Med Chem 144: 859-873 (2018) Article DOI: 10.1016/j.ejmech.2017.12.023 BindingDB Entry DOI: 10.7270/Q2KD21F1
					More data for this Ligand-Target Pair