BDBM50087381 2-Fluoro-6-[3-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-propyl]-benzoic acid methyl ester (0.25H2O)::CHEMBL35724

SMILES: COC(=O)c1c(F)cccc1CCCn1cnc2C(O)CNC=Nc12

InChI Key: InChIKey=YWAMGNDTYBKHOA-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 = 50087381   

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
Adenosine deaminase (Bos taurus (bovine))	BDBM50087381 (2-Fluoro-6-[3-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...) Show SMILES COC(=O)c1c(F)cccc1CCCn1cnc2C(O)CNC=Nc12 |c:23| Show InChI InChI=1S/C17H19FN4O3/c1-25-17(24)14-11(4-2-6-12(14)18)5-3-7-22-10-21-15-13(23)8-19-9-20-16(15)22/h2,4,6,9-10,13,23H,3,5,7-8H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calf intestinal Adenosine deaminase (ADA)				J Med Chem 43: 1508-18 (2000) BindingDB Entry DOI: 10.7270/Q2TB1645
					More data for this Ligand-Target Pair