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BDBM50031254 CHEMBL275433::[5-(7-Amino-5-chloro-imidazo[4,5-b]pyridin-3-yl)-tetrahydro-furan-2-yl]-methanol

SMILES: Nc1cc(Cl)nc2n(cnc12)C1CCC(CO)O1

InChI Key: InChIKey=YVHAWFAZBNGIEP-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50031254   
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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50031254
PNG
(CHEMBL275433 | [5-(7-Amino-5-chloro-imidazo[4,5-b]...)
Show SMILES Nc1cc(Cl)nc2n(cnc12)C1CCC(CO)O1
Show InChI InChI=1S/C11H13ClN4O2/c12-8-3-7(13)10-11(15-8)16(5-14-10)9-2-1-6(4-17)18-9/h3,5-6,9,17H,1-2,4H2,(H2,13,15)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5.55E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand


J Med Chem 38: 1174-88 (1995)


BindingDB Entry DOI: 10.7270/Q2HQ40KN
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50031254
PNG
(CHEMBL275433 | [5-(7-Amino-5-chloro-imidazo[4,5-b]...)
Show SMILES Nc1cc(Cl)nc2n(cnc12)C1CCC(CO)O1
Show InChI InChI=1S/C11H13ClN4O2/c12-8-3-7(13)10-11(15-8)16(5-14-10)9-2-1-6(4-17)18-9/h3,5-6,9,17H,1-2,4H2,(H2,13,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition calf intestine adenosine deaminase


J Med Chem 38: 4019-25 (1995)


BindingDB Entry DOI: 10.7270/Q2RB757R
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50031254
PNG
(CHEMBL275433 | [5-(7-Amino-5-chloro-imidazo[4,5-b]...)
Show SMILES Nc1cc(Cl)nc2n(cnc12)C1CCC(CO)O1
Show InChI InChI=1S/C11H13ClN4O2/c12-8-3-7(13)10-11(15-8)16(5-14-10)9-2-1-6(4-17)18-9/h3,5-6,9,17H,1-2,4H2,(H2,13,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.01E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand.


J Med Chem 38: 1174-88 (1995)


BindingDB Entry DOI: 10.7270/Q2HQ40KN
More data for this
Ligand-Target Pair