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BDBM50367690 CHEMBL606507

SMILES: COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1

InChI Key: InChIKey=IMOWESORRYDLBB-GDXCLVGASA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50367690   
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 A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50367690
PNG
(CHEMBL606507)
Show SMILES COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C26H29N5O6/c1-35-17-8-16(9-18(10-17)36-2)19(15-6-4-3-5-7-15)11-27-24-21-25(29-13-28-24)31(14-30-21)26-23(34)22(33)20(12-32)37-26/h3-10,13-14,19-20,22-23,26,32-34H,11-12H2,1-2H3,(H,27,28,29)/t19?,20-,22-,23-,26?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
6.10n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL




J Med Chem 31: 1282-5 (1988)


BindingDB Entry DOI: 10.7270/Q2KK9CCN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367690
PNG
(CHEMBL606507)
Show SMILES COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C26H29N5O6/c1-35-17-8-16(9-18(10-17)36-2)19(15-6-4-3-5-7-15)11-27-24-21-25(29-13-28-24)31(14-30-21)26-23(34)22(33)20(12-32)37-26/h3-10,13-14,19-20,22-23,26,32-34H,11-12H2,1-2H3,(H,27,28,29)/t19?,20-,22-,23-,26?/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
30n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]N6-cyclohexyladenosine to adenosine A1 receptor of rat whole brain membranes.


J Med Chem 32: 1667-73 (1989)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2BR8SS5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367690
PNG
(CHEMBL606507)
Show SMILES COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C26H29N5O6/c1-35-17-8-16(9-18(10-17)36-2)19(15-6-4-3-5-7-15)11-27-24-21-25(29-13-28-24)31(14-30-21)26-23(34)22(33)20(12-32)37-26/h3-10,13-14,19-20,22-23,26,32-34H,11-12H2,1-2H3,(H,27,28,29)/t19?,20-,22-,23-,26?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
30n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity at adenosine A1 receptor from rat brain membranes by [3H]N6-cyclohexyladenosine displacement.


J Med Chem 31: 1282-5 (1988)


BindingDB Entry DOI: 10.7270/Q2KK9CCN
More data for this
Ligand-Target Pair