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BDBM50453499 CHEMBL2113598

SMILES: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3c[nH]c4ccccc34)ncnc12

InChI Key: InChIKey=KVKKLHOSKPOAIK-QPXQOZNCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50453499   
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 A1


(Rattus norvegicus (rat))
BDBM50453499
PNG
(CHEMBL2113598)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3c[nH]c4ccccc34)ncnc12
Show InChI InChI=1S/C23H25N7O4/c31-17-18(32)23(34-19(17)22(33)29-13-5-6-13)30-11-28-16-20(26-10-27-21(16)30)24-8-7-12-9-25-15-4-2-1-3-14(12)15/h1-4,9-11,13,17-19,23,25,31-32H,5-8H2,(H,29,33)(H,24,26,27)/t17-,18+,19-,23+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
7.90n/an/an/an/an/an/an/an/a



Carpibem

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in rat brain membrane


J Med Chem 37: 4307-16 (1995)


Article DOI: 10.1021/jm00051a007
BindingDB Entry DOI: 10.7270/Q2J38T68
More data for this
Ligand-Target Pair