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BDBM50368910 CHEMBL610700

SMILES: CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(C(=O)c2ccccc2)c1=O

InChI Key: InChIKey=CHXCLYZHVOMNFT-CFQMKPDENA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50368910   
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))
BDBM50368910
PNG
(CHEMBL610700)
Show SMILES CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(C(=O)c2ccccc2)c1=O
Show InChI InChI=1/C21H24N4O7/c1-2-3-9-23-17-14(24(11-22-17)20-16(28)15(27)13(10-26)32-20)19(30)25(21(23)31)18(29)12-7-5-4-6-8-12/h4-8,11,13,15-16,20,26-28H,2-3,9-10H2,1H3/t13-,15-,16-,20?/s2
PDB

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Similars

Article
PubMed
1.72E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor


J Med Chem 37: 4020-30 (1994)


Article DOI: 10.1021/jm00049a021
BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50368910
PNG
(CHEMBL610700)
Show SMILES CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(C(=O)c2ccccc2)c1=O
Show InChI InChI=1/C21H24N4O7/c1-2-3-9-23-17-14(24(11-22-17)20-16(28)15(27)13(10-26)32-20)19(30)25(21(23)31)18(29)12-7-5-4-6-8-12/h4-8,11,13,15-16,20,26-28H,2-3,9-10H2,1H3/t13-,15-,16-,20?/s2
PDB
MMDB

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Article
PubMed
4.51E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]- CGS-21680 in rat striatal membranes A2a receptor


J Med Chem 37: 4020-30 (1994)


Article DOI: 10.1021/jm00049a021
BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50368910
PNG
(CHEMBL610700)
Show SMILES CCCCn1c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)n(C(=O)c2ccccc2)c1=O
Show InChI InChI=1/C21H24N4O7/c1-2-3-9-23-17-14(24(11-22-17)20-16(28)15(27)13(10-26)32-20)19(30)25(21(23)31)18(29)12-7-5-4-6-8-12/h4-8,11,13,15-16,20,26-28H,2-3,9-10H2,1H3/t13-,15-,16-,20?/s2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.24E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA


J Med Chem 37: 4020-30 (1994)


Article DOI: 10.1021/jm00049a021
BindingDB Entry DOI: 10.7270/Q2251JTQ
More data for this
Ligand-Target Pair