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BDBM50336991 CHEMBL1672623::N-[6-(2-Fluorophenyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide

SMILES: Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1

InChI Key: InChIKey=GTPWPCYIYPRNLK-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 = 50336991   
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))
BDBM50336991
PNG
(CHEMBL1672623 | N-[6-(2-Fluorophenyl)-5-pyridin-4-...)
Show SMILES Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1
Show InChI InChI=1S/C19H15FN4O/c20-15-4-2-1-3-14(15)18-17(12-7-9-21-10-8-12)22-11-16(23-18)24-19(25)13-5-6-13/h1-4,7-11,13H,5-6H2,(H,23,24,25)
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay


ACS Med Chem Lett 2: 213-218 (2011)


Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50336991
PNG
(CHEMBL1672623 | N-[6-(2-Fluorophenyl)-5-pyridin-4-...)
Show SMILES Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1
Show InChI InChI=1S/C19H15FN4O/c20-15-4-2-1-3-14(15)18-17(12-7-9-21-10-8-12)22-11-16(23-18)24-19(25)13-5-6-13/h1-4,7-11,13H,5-6H2,(H,23,24,25)
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


ACS Med Chem Lett 2: 213-218 (2011)


Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50336991
PNG
(CHEMBL1672623 | N-[6-(2-Fluorophenyl)-5-pyridin-4-...)
Show SMILES Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1
Show InChI InChI=1S/C19H15FN4O/c20-15-4-2-1-3-14(15)18-17(12-7-9-21-10-8-12)22-11-16(23-18)24-19(25)13-5-6-13/h1-4,7-11,13H,5-6H2,(H,23,24,25)
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MMDB

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51n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay


ACS Med Chem Lett 2: 213-218 (2011)


Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50336991
PNG
(CHEMBL1672623 | N-[6-(2-Fluorophenyl)-5-pyridin-4-...)
Show SMILES Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1
Show InChI InChI=1S/C19H15FN4O/c20-15-4-2-1-3-14(15)18-17(12-7-9-21-10-8-12)22-11-16(23-18)24-19(25)13-5-6-13/h1-4,7-11,13H,5-6H2,(H,23,24,25)
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PubMed
326n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in HeLa cells after 3 hrs by filtration binding assay


ACS Med Chem Lett 2: 213-218 (2011)


Article DOI: 10.1021/ml100249e
BindingDB Entry DOI: 10.7270/Q2PG1S10
More data for this
Ligand-Target Pair