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SMILES: OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)OCc1ccccc1

InChI Key: InChIKey=FAGUEBJXKGNLIE-UHFFFAOYSA-N

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 = 50087405   
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


(Homo sapiens (Human))
BDBM50087405
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)OCc1ccccc1 |c:4|
Show InChI InChI=1S/C20H24N4O5/c25-16-10-21-12-22-18-17(16)23-13-24(18)9-5-4-8-15(19(26)27)20(28)29-11-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-16,25H,4-5,8-11H2,(H,21,22)(H,26,27)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
360n/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)


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


(Bos taurus (bovine))
BDBM50087405
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)OCc1ccccc1 |c:4|
Show InChI InChI=1S/C20H24N4O5/c25-16-10-21-12-22-18-17(16)23-13-24(18)9-5-4-8-15(19(26)27)20(28)29-11-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-16,25H,4-5,8-11H2,(H,21,22)(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
>7.50E+3n/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)


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