BindingDB logo
myBDB logout

BDBM50087332 2-Benzyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-hexanoic acid::2-Benzyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-hexanoic acid H2O.0.2CH3CO2H::CHEMBL35929

SMILES: OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)C(O)=O

InChI Key: InChIKey=KENABUKLZKAHBP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50087332   
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 2


(Homo sapiens (Human))
BDBM50087332
PNG
(2-Benzyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H24N4O3/c24-16-11-20-12-21-18-17(16)22-13-23(18)9-5-4-8-15(19(25)26)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-16,24H,4-5,8-11H2,(H,20,21)(H,25,26)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
410n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)


J Med Chem 43: 1495-507 (2000)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087332
PNG
(2-Benzyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H24N4O3/c24-16-11-20-12-21-18-17(16)22-13-23(18)9-5-4-8-15(19(25)26)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-16,24H,4-5,8-11H2,(H,20,21)(H,25,26)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
410n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


Article DOI: 10.1021/jm000355t
BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087332
PNG
(2-Benzyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H24N4O3/c24-16-11-20-12-21-18-17(16)22-13-23(18)9-5-4-8-15(19(25)26)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-16,24H,4-5,8-11H2,(H,20,21)(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


Article DOI: 10.1021/jm990447m
BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair