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BDBM50009702 2-Chloro-9-methyl-9H-purin-6-ylamine::CHEMBL317398

SMILES: Cn1cnc2c(N)nc(Cl)nc12

InChI Key: InChIKey=XBMKMJLOOAHOKH-UHFFFAOYSA-N

Data: 3 KI  2 IC50

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 5 hits for monomerid = 50009702   
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 A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009702
PNG
(2-Chloro-9-methyl-9H-purin-6-ylamine | CHEMBL31739...)
Show SMILES Cn1cnc2c(N)nc(Cl)nc12
Show InChI InChI=1S/C6H6ClN5/c1-12-2-9-3-4(8)10-6(7)11-5(3)12/h2H,1H3,(H2,8,10,11)
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PubMed
1.10E+4n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat striatum by using [3H]NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50009702
PNG
(2-Chloro-9-methyl-9H-purin-6-ylamine | CHEMBL31739...)
Show SMILES Cn1cnc2c(N)nc(Cl)nc12
Show InChI InChI=1S/C6H6ClN5/c1-12-2-9-3-4(8)10-6(7)11-5(3)12/h2H,1H3,(H2,8,10,11)
PDB

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UniChem

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PubMed
1.60E+4n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50009702
PNG
(2-Chloro-9-methyl-9H-purin-6-ylamine | CHEMBL31739...)
Show SMILES Cn1cnc2c(N)nc(Cl)nc12
Show InChI InChI=1S/C6H6ClN5/c1-12-2-9-3-4(8)10-6(7)11-5(3)12/h2H,1H3,(H2,8,10,11)
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PubMed
2.30E+4n/an/an/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand


J Med Chem 34: 2877-82 (1991)


Article DOI: 10.1021/jm00113a029
BindingDB Entry DOI: 10.7270/Q2Q81DQN
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50009702
PNG
(2-Chloro-9-methyl-9H-purin-6-ylamine | CHEMBL31739...)
Show SMILES Cn1cnc2c(N)nc(Cl)nc12
Show InChI InChI=1S/C6H6ClN5/c1-12-2-9-3-4(8)10-6(7)11-5(3)12/h2H,1H3,(H2,8,10,11)
PDB
MMDB

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PubMed
n/an/a>1.25E+6n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 60: 8170-8182 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01066
BindingDB Entry DOI: 10.7270/Q2K64M72
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50009702
PNG
(2-Chloro-9-methyl-9H-purin-6-ylamine | CHEMBL31739...)
Show SMILES Cn1cnc2c(N)nc(Cl)nc12
Show InChI InChI=1S/C6H6ClN5/c1-12-2-9-3-4(8)10-6(7)11-5(3)12/h2H,1H3,(H2,8,10,11)
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PubMed
n/an/a 7.00E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.


J Med Chem 40: 408-12 (1997)


Article DOI: 10.1021/jm960666x
BindingDB Entry DOI: 10.7270/Q2GF0SNG
More data for this
Ligand-Target Pair