BDBM50449000 CHEMBL3125942

SMILES: CCOC(=O)C1C(c2ccc(O)cc2OC1=N)c1ccnc2ccccc12

InChI Key: InChIKey=MTWNWUFREDNUGA-UHFFFAOYSA-N

Data: 1 KI

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 = 50449000   

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
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50449000 (CHEMBL3125942) Show SMILES CCOC(=O)C1C(c2ccc(O)cc2OC1=N)c1ccnc2ccccc12 Show InChI InChI=1S/C21H18N2O4/c1-2-26-21(25)19-18(14-9-10-23-16-6-4-3-5-13(14)16)15-8-7-12(24)11-17(15)27-20(19)22/h3-11,18-19,22,24H,2H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins				J Med Chem 57: 1368-77 (2014) Article DOI: 10.1021/jm401540f BindingDB Entry DOI: 10.7270/Q2W66N8G
					More data for this Ligand-Target Pair