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BDBM81785 2-Fluoro-5'-Methylthio Adenosine::2-Fluoro-5'-MethylthioAdo

SMILES: CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(F)nc12

InChI Key: InChIKey=JGRNBWILNOGVSU-SDBHATRESA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 81785   
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))
BDBM81785
PNG
(2-Fluoro-5'-Methylthio Adenosine | 2-Fluoro-5&...)
Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(F)nc12
Show InChI InChI=1S/C16H22FN5O3S/c1-26-6-9-11(23)12(24)15(25-9)22-7-18-10-13(19-8-4-2-3-5-8)20-16(17)21-14(10)22/h7-9,11-12,15,23-24H,2-6H2,1H3,(H,19,20,21)/t9-,11-,12-,15-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
84n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochem Pharmacol 43: 1089-93 (1992)


BindingDB Entry DOI: 10.7270/Q20863S6
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM81785
PNG
(2-Fluoro-5'-Methylthio Adenosine | 2-Fluoro-5&...)
Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(F)nc12
Show InChI InChI=1S/C16H22FN5O3S/c1-26-6-9-11(23)12(24)15(25-9)22-7-18-10-13(19-8-4-2-3-5-8)20-16(17)21-14(10)22/h7-9,11-12,15,23-24H,2-6H2,1H3,(H,19,20,21)/t9-,11-,12-,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
950n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochem Pharmacol 43: 1089-93 (1992)


BindingDB Entry DOI: 10.7270/Q20863S6
More data for this
Ligand-Target Pair