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BDBM50087294 6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-2,2-dimethyl-hexanoic acid 0.6H2O.0.25CH3CO2H::CHEMBL291112

SMILES: CC(C)(CCCCn1cnc2C(O)CNC=Nc12)C(O)=O

InChI Key: InChIKey=ADRDXOHKVRDVRY-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 = 50087294   
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))
BDBM50087294
PNG
(6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES CC(C)(CCCCn1cnc2C(O)CNC=Nc12)C(O)=O
Show InChI InChI=1S/C14H22N4O3/c1-14(2,13(20)21)5-3-4-6-18-9-17-11-10(19)7-15-8-16-12(11)18/h8-10,19H,3-7H2,1-2H3,(H,15,16)(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>7.50E+3n/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
AMP deaminase 2


(Homo sapiens (Human))
BDBM50087294
PNG
(6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES CC(C)(CCCCn1cnc2C(O)CNC=Nc12)C(O)=O
Show InChI InChI=1S/C14H22N4O3/c1-14(2,13(20)21)5-3-4-6-18-9-17-11-10(19)7-15-8-16-12(11)18/h8-10,19H,3-7H2,1-2H3,(H,15,16)(H,20,21)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.20E+3n/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