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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50368188   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368188
PNG
(CHEMBL2235594 | CHEMBL603398)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOc4ccccc34)ncnc12 |r|
Show InChI InChI=1S/C19H21N5O5/c25-7-13-15(26)16(27)19(29-13)24-9-22-14-17(20-8-21-18(14)24)23-11-5-6-28-12-4-2-1-3-10(11)12/h1-4,8-9,11,13,15-16,19,25-27H,5-7H2,(H,20,21,23)/t11?,13-,15-,16-,19?/m1/s1
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PC cid
PC sid
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Similars

PubMed
64n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor


J Med Chem 34: 1043-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HT2PW7
More data for this
Ligand-Target Pair
Adenosine receptor A2a/A2b


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50368188
PNG
(CHEMBL2235594 | CHEMBL603398)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOc4ccccc34)ncnc12 |r|
Show InChI InChI=1S/C19H21N5O5/c25-7-13-15(26)16(27)19(29-13)24-9-22-14-17(20-8-21-18(14)24)23-11-5-6-28-12-4-2-1-3-10(11)12/h1-4,8-9,11,13,15-16,19,25-27H,5-7H2,(H,20,21,23)/t11?,13-,15-,16-,19?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
339n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A2 receptor


J Med Chem 34: 1043-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HT2PW7
More data for this
Ligand-Target Pair