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BDBM50087329 2-(3-Bromo-phenyl)-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-hexanoic acid 0.75H2O.0.36CH3CO2H::CHEMBL38002

SMILES: OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)c1cccc(Br)c1

InChI Key: InChIKey=QEPFKFBHKXYQLU-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 = 50087329   
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))
BDBM50087329
PNG
(2-(3-Bromo-phenyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)c1cccc(Br)c1
Show InChI InChI=1S/C18H21BrN4O3/c19-13-5-3-4-12(8-13)14(18(25)26)6-1-2-7-23-11-22-16-15(24)9-20-10-21-17(16)23/h3-5,8,10-11,14-15,24H,1-2,6-7,9H2,(H,20,21)(H,25,26)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40E+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
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087329
PNG
(2-(3-Bromo-phenyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)c1cccc(Br)c1
Show InChI InChI=1S/C18H21BrN4O3/c19-13-5-3-4-12(8-13)14(18(25)26)6-1-2-7-23-11-22-16-15(24)9-20-10-21-17(16)23/h3-5,8,10-11,14-15,24H,1-2,6-7,9H2,(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
>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