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BDBM50168107 CHEMBL3798754

SMILES: Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3)cc2n1

InChI Key: InChIKey=WXADNPIZOQQAEO-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 = 50168107   
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 A2a


(Homo sapiens (human))
BDBM50168107
PNG
(CHEMBL3798754)
Show SMILES Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3)cc2n1
Show InChI InChI=1S/C17H15N5O/c1-11-7-8-14(23-11)17-19-13-10-22(21-15(13)16(18)20-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20)
PDB
MMDB

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PC sid
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Article
PubMed
9.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 24: 2794-808 (2016)


Article DOI: 10.1016/j.bmc.2016.04.048
BindingDB Entry DOI: 10.7270/Q23X88JC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50168107
PNG
(CHEMBL3798754)
Show SMILES Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3)cc2n1
Show InChI InChI=1S/C17H15N5O/c1-11-7-8-14(23-11)17-19-13-10-22(21-15(13)16(18)20-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20)
PDB

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PC sid
UniChem

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Article
PubMed
136n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method


Bioorg Med Chem 24: 2794-808 (2016)


Article DOI: 10.1016/j.bmc.2016.04.048
BindingDB Entry DOI: 10.7270/Q23X88JC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50168107
PNG
(CHEMBL3798754)
Show SMILES Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3)cc2n1
Show InChI InChI=1S/C17H15N5O/c1-11-7-8-14(23-11)17-19-13-10-22(21-15(13)16(18)20-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20)
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Article
PubMed
269n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 24: 2794-808 (2016)


Article DOI: 10.1016/j.bmc.2016.04.048
BindingDB Entry DOI: 10.7270/Q23X88JC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50168107
PNG
(CHEMBL3798754)
Show SMILES Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3)cc2n1
Show InChI InChI=1S/C17H15N5O/c1-11-7-8-14(23-11)17-19-13-10-22(21-15(13)16(18)20-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20)
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 152n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A1 receptor expressed in CHO cell membranes assessed as suppression of CCPA-mediated inhibition of cAMP level ...


Bioorg Med Chem 24: 2794-808 (2016)


Article DOI: 10.1016/j.bmc.2016.04.048
BindingDB Entry DOI: 10.7270/Q23X88JC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50168107
PNG
(CHEMBL3798754)
Show SMILES Cc1ccc(o1)-c1nc(N)c2nn(Cc3ccccc3)cc2n1
Show InChI InChI=1S/C17H15N5O/c1-11-7-8-14(23-11)17-19-13-10-22(21-15(13)16(18)20-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated cAMP level preincubated...


Bioorg Med Chem 24: 2794-808 (2016)


Article DOI: 10.1016/j.bmc.2016.04.048
BindingDB Entry DOI: 10.7270/Q23X88JC
More data for this
Ligand-Target Pair