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BDBM50004716 (2R,3R)-2-Methyl-3,7-diphenyl-5-propoxy-2,7-dihydro-3H-imidazo[1,2-c]pyrazolo[4,3-e]pyrimidine::2-Methyl-3,6-diphenyl-4-propoxy-2,6-dihydro-3H-1,3a,5,6,7-pentaaza-as-indacene::CHEMBL111729

SMILES: CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](C)[C@H](N12)c1ccccc1

InChI Key: InChIKey=SWJWVTBKVUVWHZ-UZLBHIALSA-N

Data: 3 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50004716   
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))
BDBM50004716
PNG
((2R,3R)-2-Methyl-3,7-diphenyl-5-propoxy-2,7-dihydr...)
Show SMILES CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](C)[C@H](N12)c1ccccc1
Show InChI InChI=1S/C23H23N5O/c1-3-14-29-23-26-22-19(15-24-28(22)18-12-8-5-9-13-18)21-25-16(2)20(27(21)23)17-10-6-4-7-11-17/h4-13,15-16,20H,3,14H2,1-2H3/t16-,20+/m1/s1
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Article
PubMed
7.40E+3n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in whole rat brain membranes


J Med Chem 35: 3263-9 (1992)


Article DOI: 10.1021/jm00095a024
BindingDB Entry DOI: 10.7270/Q2QF8RTH
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50004716
PNG
((2R,3R)-2-Methyl-3,7-diphenyl-5-propoxy-2,7-dihydr...)
Show SMILES CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](C)[C@H](N12)c1ccccc1
Show InChI InChI=1S/C23H23N5O/c1-3-14-29-23-26-22-19(15-24-28(22)18-12-8-5-9-13-18)21-25-16(2)20(27(21)23)17-10-6-4-7-11-17/h4-13,15-16,20H,3,14H2,1-2H3/t16-,20+/m1/s1
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Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A2a receptor from rat striata


Bioorg Med Chem Lett 8: 695-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00101-2
BindingDB Entry DOI: 10.7270/Q2X63NGB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50004716
PNG
((2R,3R)-2-Methyl-3,7-diphenyl-5-propoxy-2,7-dihydr...)
Show SMILES CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](C)[C@H](N12)c1ccccc1
Show InChI InChI=1S/C23H23N5O/c1-3-14-29-23-26-22-19(15-24-28(22)18-12-8-5-9-13-18)21-25-16(2)20(27(21)23)17-10-6-4-7-11-17/h4-13,15-16,20H,3,14H2,1-2H3/t16-,20+/m1/s1
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PC sid
UniChem

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Article
PubMed
7.40E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity for rat brain Adenosine A1 receptor


Bioorg Med Chem Lett 8: 695-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00101-2
BindingDB Entry DOI: 10.7270/Q2X63NGB
More data for this
Ligand-Target Pair