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BDBM50376946 CHEMBL265213

SMILES: CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1

InChI Key: InChIKey=UNAVLTRDQJCVAE-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50376946   
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 A2b


(Homo sapiens (Human))
BDBM50376946
PNG
(CHEMBL265213)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C20H21FN6O2/c1-3-8-27-19(28)16-18(26(4-2)20(27)29)24-17(23-16)14-10-22-25(12-14)11-13-6-5-7-15(21)9-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,23,24)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



CV Therapeutics Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50376946
PNG
(CHEMBL265213)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C20H21FN6O2/c1-3-8-27-19(28)16-18(26(4-2)20(27)29)24-17(23-16)14-10-22-25(12-14)11-13-6-5-7-15(21)9-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,23,24)
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PC sid
UniChem

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



CV Therapeutics Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]ABMECA from human recombinant adenosine A3 receptor expressed in CHO cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50376946
PNG
(CHEMBL265213)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C20H21FN6O2/c1-3-8-27-19(28)16-18(26(4-2)20(27)29)24-17(23-16)14-10-22-25(12-14)11-13-6-5-7-15(21)9-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,23,24)
PDB

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Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from human recombinant adenosine A1 receptor expressed in CHO cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50376946
PNG
(CHEMBL265213)
Show SMILES CCCn1c(=O)n(CC)c2nc([nH]c2c1=O)-c1cnn(Cc2cccc(F)c2)c1
Show InChI InChI=1S/C20H21FN6O2/c1-3-8-27-19(28)16-18(26(4-2)20(27)29)24-17(23-16)14-10-22-25(12-14)11-13-6-5-7-15(21)9-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,23,24)
PDB
MMDB

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Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



CV Therapeutics Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells


J Med Chem 51: 2267-78 (2008)


Article DOI: 10.1021/jm7014815
BindingDB Entry DOI: 10.7270/Q2MC90W2
More data for this
Ligand-Target Pair