BDBM50218718 CHEMBL388435::methyl 2-(3-(3-Methoxy-4-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-8-yl)acetate

SMILES: COC(=O)Cc1ccc2Oc3cc(ccc3C(=O)Nc2c1)-c1ccc(N)c(OC)c1

InChI Key: InChIKey=FAYFJQBARVBRHD-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 = 50218718   

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))	BDBM50218718 (CHEMBL388435 | methyl 2-(3-(3-Methoxy-4-nitropheny...) Show SMILES COC(=O)Cc1ccc2Oc3cc(ccc3C(=O)Nc2c1)-c1ccc(N)c(OC)c1 Show InChI InChI=1S/C23H20N2O5/c1-28-21-12-15(5-7-17(21)24)14-4-6-16-20(11-14)30-19-8-3-13(10-22(26)29-2)9-18(19)25-23(16)27/h3-9,11-12H,10,24H2,1-2H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1				J Med Chem 50: 4162-76 (2007) Article DOI: 10.1021/jm070105d BindingDB Entry DOI: 10.7270/Q22J6BKS
					More data for this Ligand-Target Pair