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BDBM50420418 CHEMBL2089336

SMILES: CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C#Cc1ccccc1Cl

InChI Key: InChIKey=BMBOCACXLYBILE-RBGFHWGBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420418   
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 A3


(Homo sapiens (Human))
BDBM50420418
PNG
(CHEMBL2089336)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@H]2[C@@H](O)[C@H]1O)C#Cc1ccccc1Cl
Show InChI InChI=1S/C20H18ClN5O2/c1-22-19-15-20(25-14(24-19)7-6-10-4-2-3-5-13(10)21)26(9-23-15)16-11-8-12(11)17(27)18(16)28/h2-5,9,11-12,16-18,27-28H,8H2,1H3,(H,22,24,25)/t11-,12+,16+,17+,18-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting


ACS Med Chem Lett 3: 596-601 (2012)


Article DOI: 10.1021/ml300107e
BindingDB Entry DOI: 10.7270/Q2HD7WXX
More data for this
Ligand-Target Pair