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BDBM50051652 CHEMBL312619::R-2'-phenyl-7'-[1-phenyl-(1R)-ethyl]spiro[cyclopentane-1,5'-(4',5',6',7'-tetrahydro-3'H-pyrrolo[2,3-d]pyrimidine)]-4',6'-dione

SMILES: O=C1N(c2nc[nH]c(=O)c2C11CCCC1)c1ccccc1

InChI Key: InChIKey=NOYXOIBZIDBUHM-UHFFFAOYSA-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 = 50051652   
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))
BDBM50051652
PNG
(CHEMBL312619 | R-2'-phenyl-7'-[1-phenyl-(1R)-ethyl...)
Show SMILES O=C1N(c2nc[nH]c(=O)c2C11CCCC1)c1ccccc1
Show InChI InChI=1S/C16H15N3O2/c20-14-12-13(17-10-18-14)19(11-6-2-1-3-7-11)15(21)16(12)8-4-5-9-16/h1-3,6-7,10H,4-5,8-9H2,(H,17,18,20)
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Radioligand binding assay for [3H]-PIA affinity towards Adenosine A1 receptor of rat cerebral cortical membrane


J Med Chem 39: 2482-91 (1996)


Article DOI: 10.1021/jm960011w
BindingDB Entry DOI: 10.7270/Q27H1HPH
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50051652
PNG
(CHEMBL312619 | R-2'-phenyl-7'-[1-phenyl-(1R)-ethyl...)
Show SMILES O=C1N(c2nc[nH]c(=O)c2C11CCCC1)c1ccccc1
Show InChI InChI=1S/C16H15N3O2/c20-14-12-13(17-10-18-14)19(11-6-2-1-3-7-11)15(21)16(12)8-4-5-9-16/h1-3,6-7,10H,4-5,8-9H2,(H,17,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.72E+4n/an/an/an/an/an/an/an/a



Julius-Maximilians-Universität Würzburg

Curated by ChEMBL


Assay Description
Radioligand binding assay for [3H]-NECA affinity towards adenosine A2A receptor of rat striatum


J Med Chem 39: 2482-91 (1996)


Article DOI: 10.1021/jm960011w
BindingDB Entry DOI: 10.7270/Q27H1HPH
More data for this
Ligand-Target Pair