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BDBM50367688 CHEMBL603791

SMILES: COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1)c1ccccc1C

InChI Key: InChIKey=FELJKLQRUSBYKH-ZCOTUCPRSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50367688   
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))
BDBM50367688
PNG
(CHEMBL603791)
Show SMILES COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1)c1ccccc1C |r|
Show InChI InChI=1S/C30H34N6O6/c1-16-6-4-5-7-21(16)22(17-10-19(40-2)12-20(11-17)41-3)13-31-27-23-28(33-14-32-27)36(15-34-23)30-25(38)24(37)26(42-30)29(39)35-18-8-9-18/h4-7,10-12,14-15,18,22,24-26,30,37-38H,8-9,13H2,1-3H3,(H,35,39)(H,31,32,33)/t22?,24-,25+,26-,30?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
8.70n/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))
BDBM50367688
PNG
(CHEMBL603791)
Show SMILES COc1cc(OC)cc(c1)C(CNc1ncnc2n(cnc12)C1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1)c1ccccc1C |r|
Show InChI InChI=1S/C30H34N6O6/c1-16-6-4-5-7-21(16)22(17-10-19(40-2)12-20(11-17)41-3)13-31-27-23-28(33-14-32-27)36(15-34-23)30-25(38)24(37)26(42-30)29(39)35-18-8-9-18/h4-7,10-12,14-15,18,22,24-26,30,37-38H,8-9,13H2,1-3H3,(H,35,39)(H,31,32,33)/t22?,24-,25+,26-,30?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
232n/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