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BDBM50453543 CHEMBL2113570

SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3[N+]([O-])=O)ncnc12

InChI Key: InChIKey=CZZHLXAEYDPEMY-QCUYGVNKSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50453543   
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 receptor A2a and A3


(Rattus norvegicus)
BDBM50453543
PNG
(CHEMBL2113570)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C19H21N7O6/c1-2-20-18(29)15-13(27)14(28)19(32-15)25-9-24-12-16(22-8-23-17(12)25)21-7-10-5-3-4-6-11(10)26(30)31/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,20,29)(H,21,22,23)/t13-,14+,15-,19+/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50453543
PNG
(CHEMBL2113570)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C19H21N7O6/c1-2-20-18(29)15-13(27)14(28)19(32-15)25-9-24-12-16(22-8-23-17(12)25)21-7-10-5-3-4-6-11(10)26(30)31/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,20,29)(H,21,22,23)/t13-,14+,15-,19+/m0/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined


J Med Chem 37: 636-46 (1994)


Article DOI: 10.1021/jm00031a014
BindingDB Entry DOI: 10.7270/Q2057GJZ
More data for this
Ligand-Target Pair