BindingDB logo
myBDB logout

BDBM50368354 2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (31)::CHEMBL608033

SMILES: CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(=S)NC)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=BHVKZSLIKGUWGD-NVONZOAYSA-N

Data: 2 KI

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 2 hits for monomerid = 50368354   
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))
BDBM50368354
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (3...)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(=S)NC)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H25N7O3S/c1-3-4-5-6-7-11-23-15(19)12-16(24-11)25(9-22-12)17-14(27)13(26)10(28-17)8-21-18(29)20-2/h9-10,13-14,17,26-27H,3-5,8H2,1-2H3,(H2,19,23,24)(H2,20,21,29)/t10-,13-,14-,17?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>472n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


J Med Chem 35: 2881-90 (1992)


Article DOI: 10.1021/jm00093a022
BindingDB Entry DOI: 10.7270/Q22B8ZMC
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus (rat))
BDBM50368354
PNG
(2-(l-hexyn-l-yl)-adenosine-5'-N-methyluronamide (3...)
Show SMILES CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(=S)NC)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C18H25N7O3S/c1-3-4-5-6-7-11-23-15(19)12-16(24-11)25(9-22-12)17-14(27)13(26)10(28-17)8-21-18(29)20-2/h9-10,13-14,17,26-27H,3-5,8H2,1-2H3,(H2,19,23,24)(H2,20,21,29)/t10-,13-,14-,17?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>181n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand.


J Med Chem 35: 2881-90 (1992)


Article DOI: 10.1021/jm00093a022
BindingDB Entry DOI: 10.7270/Q22B8ZMC
More data for this
Ligand-Target Pair