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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50212797   
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))
BDBM50212797
PNG
(9-(3-methoxybenzyl)-1,3-dipropyl-6,7,8,9-tetrahydr...)
Show SMILES CCCn1c2nc3N(Cc4cccc(OC)c4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H29N5O3/c1-4-10-26-19-18(20(28)27(11-5-2)22(26)29)25-13-7-12-24(21(25)23-19)15-16-8-6-9-17(14-16)30-3/h6,8-9,14H,4-5,7,10-13,15H2,1-3H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
180n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane


Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))
BDBM50212797
PNG
(9-(3-methoxybenzyl)-1,3-dipropyl-6,7,8,9-tetrahydr...)
Show SMILES CCCn1c2nc3N(Cc4cccc(OC)c4)CCCn3c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C22H29N5O3/c1-4-10-26-19-18(20(28)27(11-5-2)22(26)29)25-13-7-12-24(21(25)23-19)15-16-8-6-9-17(14-16)30-3/h6,8-9,14H,4-5,7,10-13,15H2,1-3H3
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PC sid
UniChem

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Article
PubMed
1.13E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane


Bioorg Med Chem 15: 5003-17 (2007)


Article DOI: 10.1016/j.bmc.2007.04.018
BindingDB Entry DOI: 10.7270/Q2833RR7
More data for this
Ligand-Target Pair