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BDBM50087321 2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-butyl]-indan-2-carboxylic acid 1H2O::CHEMBL37713

SMILES: OC1CNC=Nc2c1ncn2CCCCC1(Cc2ccccc2C1)C(O)=O

InChI Key: InChIKey=OKELXQCITSLUFC-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 = 50087321   
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))
BDBM50087321
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC1(Cc2ccccc2C1)C(O)=O |c:4|
Show InChI InChI=1S/C20H24N4O3/c25-16-11-21-12-22-18-17(16)23-13-24(18)8-4-3-7-20(19(26)27)9-14-5-1-2-6-15(14)10-20/h1-2,5-6,12-13,16,25H,3-4,7-11H2,(H,21,22)(H,26,27)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
970n/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)


BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087321
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC1(Cc2ccccc2C1)C(O)=O |c:4|
Show InChI InChI=1S/C20H24N4O3/c25-16-11-21-12-22-18-17(16)23-13-24(18)8-4-3-7-20(19(26)27)9-14-5-1-2-6-15(14)10-20/h1-2,5-6,12-13,16,25H,3-4,7-11H2,(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
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair