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BDBM191062 US9181253, 124

SMILES: CCOc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2

InChI Key: InChIKey=XWCRMZLTCANGMV-YDYCPSOVSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 191062   
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))
BDBM191062
PNG
(US9181253, 124)
Show SMILES CCOc1ccccc1CNc1nc(Cl)nc2n(cnc12)[C@]12C[C@H]1[C@@H](O)[C@@H](O)C2
Show InChI InChI=1S/C20H22ClN5O3/c1-2-29-14-6-4-3-5-11(14)9-22-17-15-18(25-19(21)24-17)26(10-23-15)20-7-12(20)16(28)13(27)8-20/h3-6,10,12-13,16,27-28H,2,7-9H2,1H3,(H,22,24,25)/t12-,13-,16+,20-/m0/s1
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PC cid
PC sid
UniChem

Similars

15.2n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Radioligand binding assays at A1, A2A, and A3ARs were performed according to the procedures described previously. Each tube in the binding assay cont...


US Patent US9181253 (2015)


BindingDB Entry DOI: 10.7270/Q2CV4GJ4
More data for this
Ligand-Target Pair