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BDBM50022734 3,5,8-Trimethyl-1,7-dihydro-benzo[1,2-c;5,4-c']dipyrazole::CHEMBL431370

SMILES: Cc1n[nH]c2c(C)c3n[nH]c(C)c3cc12

InChI Key: InChIKey=AIWFKMLZLPPKGA-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50022734   
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


(Rattus norvegicus (rat))
BDBM50022734
PNG
(3,5,8-Trimethyl-1,7-dihydro-benzo[1,2-c;5,4-c']dip...)
Show SMILES Cc1n[nH]c2c(C)c3n[nH]c(C)c3cc12
Show InChI InChI=1S/C11H12N4/c1-5-10-8(6(2)12-14-10)4-9-7(3)13-15-11(5)9/h4H,1-3H3,(H,12,14)(H,13,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity to Adenosine A1 receptor of rat cerebral cortical membranes using 1 nM [3H]-PIA


J Med Chem 31: 2034-9 (1988)


Article DOI: 10.1021/jm00118a032
BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human))
BDBM50022734
PNG
(3,5,8-Trimethyl-1,7-dihydro-benzo[1,2-c;5,4-c']dip...)
Show SMILES Cc1n[nH]c2c(C)c3n[nH]c(C)c3cc12
Show InChI InChI=1S/C11H12N4/c1-5-10-8(6(2)12-14-10)4-9-7(3)13-15-11(5)9/h4H,1-3H3,(H,12,14)(H,13,15)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.80E+3n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity to Adenosine A2 receptor of human platelets by inhibition of NECA-stimulated adenylate cyclase


J Med Chem 31: 2034-9 (1988)


Article DOI: 10.1021/jm00118a032
BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair