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SMILES: O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CCCC1

InChI Key: InChIKey=UEBJAZCBAZVERF-UHFFFAOYSA-N

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 = 50336986   
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))
BDBM50336986
PNG
(CHEMBL1672616 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)
Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CCCC1
Show InChI InChI=1S/C19H18N4O2/c24-19(14-4-1-2-5-14)23-16-12-21-17(13-7-9-20-10-8-13)18(22-16)15-6-3-11-25-15/h3,6-12,14H,1-2,4-5H2,(H,22,23,24)
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Article
PubMed
13n/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))
BDBM50336986
PNG
(CHEMBL1672616 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)
Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CCCC1
Show InChI InChI=1S/C19H18N4O2/c24-19(14-4-1-2-5-14)23-16-12-21-17(13-7-9-20-10-8-13)18(22-16)15-6-3-11-25-15/h3,6-12,14H,1-2,4-5H2,(H,22,23,24)
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Article
PubMed
27n/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))
BDBM50336986
PNG
(CHEMBL1672616 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)
Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CCCC1
Show InChI InChI=1S/C19H18N4O2/c24-19(14-4-1-2-5-14)23-16-12-21-17(13-7-9-20-10-8-13)18(22-16)15-6-3-11-25-15/h3,6-12,14H,1-2,4-5H2,(H,22,23,24)
PDB
MMDB

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Article
PubMed
145n/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))
BDBM50336986
PNG
(CHEMBL1672616 | N-[6-(2-Furyl)-5-pyridin-4-ylpyraz...)
Show SMILES O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CCCC1
Show InChI InChI=1S/C19H18N4O2/c24-19(14-4-1-2-5-14)23-16-12-21-17(13-7-9-20-10-8-13)18(22-16)15-6-3-11-25-15/h3,6-12,14H,1-2,4-5H2,(H,22,23,24)
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Article
PubMed
4.08E+3n/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