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BDBM50455772 CHEMBL2113574

SMILES: N.OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccc(cc3)S(O)(=O)=O)ncnc12

InChI Key: InChIKey=BGGWHMBTSMMTAM-WQDVGBTGSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50455772   
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))
BDBM50455772
PNG
(CHEMBL2113574)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccc(cc3)S(O)(=O)=O)ncnc12
Show InChI InChI=1S/C20H25N5O7S.H3N/c26-9-14-16(27)17(28)20(32-14)25-11-24-15-18(22-10-23-19(15)25)21-8-2-1-3-12-4-6-13(7-5-12)33(29,30)31;/h4-7,10-11,14,16-17,20,26-28H,1-3,8-9H2,(H,21,22,23)(H,29,30,31);1H3/t14-,16-,17-,20-;/m1./s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
432n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor at rat cortical receptors using 1 nM [3H]PIA


J Med Chem 35: 4143-9 (1992)


Article DOI: 10.1021/jm00100a020
BindingDB Entry DOI: 10.7270/Q2XG9RSN
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50455772
PNG
(CHEMBL2113574)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccc(cc3)S(O)(=O)=O)ncnc12
Show InChI InChI=1S/C20H25N5O7S.H3N/c26-9-14-16(27)17(28)20(32-14)25-11-24-15-18(22-10-23-19(15)25)21-8-2-1-3-12-4-6-13(7-5-12)33(29,30)31;/h4-7,10-11,14,16-17,20,26-28H,1-3,8-9H2,(H,21,22,23)(H,29,30,31);1H3/t14-,16-,17-,20-;/m1./s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.13E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity for adenosine A2 receptor at rat striatal membrane using 5 nM [3H]CGS-21680


J Med Chem 35: 4143-9 (1992)


Article DOI: 10.1021/jm00100a020
BindingDB Entry DOI: 10.7270/Q2XG9RSN
More data for this
Ligand-Target Pair