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BDBM50087317 3-Octyl-3,6,7,8-tetrahydro-imidazo[4,5-d][1,3]diazepin-8-ol 0.25H2O::CHEMBL290949

SMILES: CCCCCCCCn1cnc2C(O)CNC=Nc12

InChI Key: InChIKey=AOYMGKKYIWXIHH-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50087317   
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
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087317
PNG
(3-Octyl-3,6,7,8-tetrahydro-imidazo[4,5-d][1,3]diaz...)
Show SMILES CCCCCCCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C14H24N4O/c1-2-3-4-5-6-7-8-18-11-17-13-12(19)9-15-10-16-14(13)18/h10-12,19H,2-9H2,1H3,(H,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
450n/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)


Citation and Details
More data for this
Ligand-Target Pair
AMP deaminase 1 (hAMPD1)


(Homo sapiens (Human))
BDBM50087317
PNG
(3-Octyl-3,6,7,8-tetrahydro-imidazo[4,5-d][1,3]diaz...)
Show SMILES CCCCCCCCn1cnc2C(O)CNC=Nc12
Show InChI InChI=1S/C14H24N4O/c1-2-3-4-5-6-7-8-18-11-17-13-12(19)9-15-10-16-14(13)18/h10-12,19H,2-9H2,1H3,(H,15,16)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.80E+4n/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)


Citation and Details
More data for this
Ligand-Target Pair