BDBM50087413 2-Benzyl-2-[4-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-butyl]-malonic acid diethyl ester (0.5H2O)::CHEMBL286464

SMILES: CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1)C(=O)OCC

InChI Key: InChIKey=QMTBJIKALBZZFN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50087413   

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
AMP deaminase 3 (hAMPD3) (Homo sapiens (Human))	BDBM50087413 (2-Benzyl-2-[4-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...) Show SMILES CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1)C(=O)OCC |c:18| Show InChI InChI=1S/C24H32N4O5/c1-3-32-22(30)24(23(31)33-4-2,14-18-10-6-5-7-11-18)12-8-9-13-28-17-27-20-19(29)15-25-16-26-21(20)28/h5-7,10-11,16-17,19,29H,3-4,8-9,12-15H2,1-2H3,(H,25,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+3	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 porcine heart or recombinant human E-type AMPDA				J Med Chem 43: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50087413 (2-Benzyl-2-[4-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...) Show SMILES CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1)C(=O)OCC |c:18| Show InChI InChI=1S/C24H32N4O5/c1-3-32-22(30)24(23(31)33-4-2,14-18-10-6-5-7-11-18)12-8-9-13-28-17-27-20-19(29)15-25-16-26-21(20)28/h5-7,10-11,16-17,19,29H,3-4,8-9,12-15H2,1-2H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.50E+3	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: 1519-24 (2000) BindingDB Entry DOI: 10.7270/Q2PK0FC0
					More data for this Ligand-Target Pair