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SMILES: OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1C(F)(F)F)(C(O)=O)C(O)=O

InChI Key: InChIKey=JURPGHQCHGTKLD-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50087409   
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))
BDBM50087409
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1C(F)(F)F)(C(O)=O)C(O)=O |c:4|
Show InChI InChI=1S/C21H23F3N4O5/c22-21(23,24)14-6-2-1-5-13(14)9-20(18(30)31,19(32)33)7-3-4-8-28-12-27-16-15(29)10-25-11-26-17(16)28/h1-2,5-6,11-12,15,29H,3-4,7-10H2,(H,25,26)(H,30,31)(H,32,33)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
41n/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))
BDBM50087409
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1C(F)(F)F)(C(O)=O)C(O)=O |c:4|
Show InChI InChI=1S/C21H23F3N4O5/c22-21(23,24)14-6-2-1-5-13(14)9-20(18(30)31,19(32)33)7-3-4-8-28-12-27-16-15(29)10-25-11-26-17(16)28/h1-2,5-6,11-12,15,29H,3-4,7-10H2,(H,25,26)(H,30,31)(H,32,33)
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