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BDBM50420430 CHEMBL2089349

SMILES: O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C#Cc1ccc(F)c(F)c1

InChI Key: InChIKey=NQMLXNUXIKIGKI-SJFZLHLYNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420430   
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))
BDBM50420430
PNG
(CHEMBL2089349)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(nc12)C#Cc1ccc(F)c(F)c1
Show InChI InChI=1/C33H27F2N5O2/c34-25-13-11-19(15-26(25)35)12-14-27-38-32(36-17-24(20-7-3-1-4-8-20)21-9-5-2-6-10-21)28-33(39-27)40(18-37-28)29-22-16-23(22)30(41)31(29)42/h1-11,13,15,18,22-24,29-31,41-42H,16-17H2,(H,36,38,39)/t22-,23+,29+,30+,31-/s2
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PC cid
PC sid
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Similars

Article
PubMed
340n/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