BDBM50087400 2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-butyl]-2-methyl-malonic acid dibenzyl ester::CHEMBL284858

SMILES: CC(CCCCn1cnc2C(O)CNC=Nc12)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

InChI Key: InChIKey=BWGHNXYMMZLLLX-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 = 50087400   

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))	BDBM50087400 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |c:14| Show InChI InChI=1S/C28H32N4O5/c1-28(26(34)36-17-21-10-4-2-5-11-21,27(35)37-18-22-12-6-3-7-13-22)14-8-9-15-32-20-31-24-23(33)16-29-19-30-25(24)32/h2-7,10-13,19-20,23,33H,8-9,14-18H2,1H3,(H,29,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20E+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))	BDBM50087400 (2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...) Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |c:14| Show InChI InChI=1S/C28H32N4O5/c1-28(26(34)36-17-21-10-4-2-5-11-21,27(35)37-18-22-12-6-3-7-13-22)14-8-9-15-32-20-31-24-23(33)16-29-19-30-25(24)32/h2-7,10-13,19-20,23,33H,8-9,14-18H2,1H3,(H,29,30)	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