BindingDB logo
myBDB logout

BDBM50087416 2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-butyl]-2-methyl-malonic acid diethyl ester::CHEMBL37325

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

InChI Key: InChIKey=AQYPWVJDOMCRTB-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 = 50087416   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087416
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES CCOC(=O)C(C)(CCCCn1cnc2C(O)CNC=Nc12)C(=O)OCC
Show InChI InChI=1S/C18H28N4O5/c1-4-26-16(24)18(3,17(25)27-5-2)8-6-7-9-22-12-21-14-13(23)10-19-11-20-15(14)22/h11-13,23H,4-10H2,1-3H3,(H,19,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.48E+4n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm9905413
BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087416
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES CCOC(=O)C(C)(CCCCn1cnc2C(O)CNC=Nc12)C(=O)OCC
Show InChI InChI=1S/C18H28N4O5/c1-4-26-16(24)18(3,17(25)27-5-2)8-6-7-9-22-12-21-14-13(23)10-19-11-20-15(14)22/h11-13,23H,4-10H2,1-3H3,(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+5n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1519-24 (2000)


Article DOI: 10.1021/jm9905413
BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair