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BDBM50115630 (2S,3R,4S)-5-[6-amino-2-(3-hydroxy-3-phenylprop-1-yn-1-yl)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::5-[6-Amino-2-(3-hydroxy-3-phenyl-prop-1-ynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::R-PHPNECA

SMILES: CCNC(=O)[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1

InChI Key: InChIKey=WOAZCBPWCCREDO-VNRDMOCKSA-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 = 50115630   
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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50115630
PNG
((2S,3R,4S)-5-[6-amino-2-(3-hydroxy-3-phenylprop-1-...)
Show SMILES CCNC(=O)[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12?,15-,16+,17+,21?/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by PDSP Ki Database




Bioorg Med Chem 5: 2267-75 (1997)


Article DOI: 10.1111/cbdd.12539
BindingDB Entry DOI: 10.7270/Q24Q7SJF
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50115630
PNG
((2S,3R,4S)-5-[6-amino-2-(3-hydroxy-3-phenylprop-1-...)
Show SMILES CCNC(=O)[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(N)nc(nc12)C#CC(O)c1ccccc1
Show InChI InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12?,15-,16+,17+,21?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.90n/an/an/an/an/an/an/an/a



Università di Camerino

Curated by PDSP Ki Database




Bioorg Med Chem 5: 2267-75 (1997)


Article DOI: 10.1111/cbdd.12539
BindingDB Entry DOI: 10.7270/Q24Q7SJF
More data for this
Ligand-Target Pair