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BDBM50210799 CHEMBL3948763

SMILES: Nc1ncc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1

InChI Key: InChIKey=PMEKDWVZCIEDTG-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50210799   
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 A1


(Homo sapiens (human))
BDBM50210799
PNG
(CHEMBL3948763)
Show SMILES Nc1ncc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1
Show InChI InChI=1S/C18H16N4/c19-18-21-11-15(17(22-18)13-4-2-1-3-5-13)14-8-9-20-16(10-14)12-6-7-12/h1-5,8-12H,6-7H2,(H2,19,21,22)
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PC sid
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Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50210799
PNG
(CHEMBL3948763)
Show SMILES Nc1ncc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1
Show InChI InChI=1S/C18H16N4/c19-18-21-11-15(17(22-18)13-4-2-1-3-5-13)14-8-9-20-16(10-14)12-6-7-12/h1-5,8-12H,6-7H2,(H2,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
36n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair