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BDBM50455771 CHEMBL2113576

SMILES: [Na+].OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCc3ccc(cc3)S([O-])(=O)=O)ncnc12

InChI Key: InChIKey=YIYUNVYOOUQZRP-ZPXBPYQOSA-M

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50455771   
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))
BDBM50455771
PNG
(CHEMBL2113576)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCc3ccc(cc3)S([O-])(=O)=O)ncnc12
Show InChI InChI=1S/C19H23N5O7S.Na/c25-8-13-15(26)16(27)19(31-13)24-10-23-14-17(21-9-22-18(14)24)20-7-1-2-11-3-5-12(6-4-11)32(28,29)30;/h3-6,9-10,13,15-16,19,25-27H,1-2,7-8H2,(H,20,21,22)(H,28,29,30);/q;+1/p-1/t13-,15-,16-,19-;/m1./s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
610n/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 receptor A1


(Rattus norvegicus (rat))
BDBM50455771
PNG
(CHEMBL2113576)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCc3ccc(cc3)S([O-])(=O)=O)ncnc12
Show InChI InChI=1S/C19H23N5O7S.Na/c25-8-13-15(26)16(27)19(31-13)24-10-23-14-17(21-9-22-18(14)24)20-7-1-2-11-3-5-12(6-4-11)32(28,29)30;/h3-6,9-10,13,15-16,19,25-27H,1-2,7-8H2,(H,20,21,22)(H,28,29,30);/q;+1/p-1/t13-,15-,16-,19-;/m1./s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
610n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [3H]PIA binding to rat cortical adenosine A1 receptor


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