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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50368538'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368538
PNG
(CHEMBL610439)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
Show InChI InChI=1S/C46H66N8O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-38(56)47-26-27-48-39(57)28-33-18-22-35(23-19-33)52-40(58)29-34-20-24-36(25-21-34)53-44-41-45(50-31-49-44)54(32-51-41)46-43(60)42(59)37(30-55)61-46/h18-25,31-32,37,42-43,46,55,59-60H,2-17,26-30H2,1H3,(H,47,56)(H,48,57)(H,52,58)(H,49,50,53)/t37-,42-,43-,46?/m1/s1
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PC sid
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Similars

Article
PubMed
0.220n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity for Adenosine A1 receptor using [3H]- CHA or [3H]- PIA


J Med Chem 35: 407-22 (1992)


Article DOI: 10.1021/jm00081a001
BindingDB Entry DOI: 10.7270/Q2Z89D1W
More data for this
Ligand-Target Pair