BDBM50087372 2-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-propyl]-5-methyl-benzoic acid methyl ester (0.15H2O)::CHEMBL35777

SMILES: COC(=O)c1cc(C)ccc1CCCn1cnc2C(O)CNC=Nc12

InChI Key: InChIKey=ICBVMQDRWPSXIR-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 = 50087372   

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))	BDBM50087372 (2-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES COC(=O)c1cc(C)ccc1CCCn1cnc2C(O)CNC=Nc12 |c:23| Show InChI InChI=1S/C18H22N4O3/c1-12-5-6-13(14(8-12)18(24)25-2)4-3-7-22-11-21-16-15(23)9-19-10-20-17(16)22/h5-6,8,10-11,15,23H,3-4,7,9H2,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	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