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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine A1 receptor' and Ligand = 'BDBM50008408'   
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 A1 receptor


(BOVINE)
BDBM50008408
PNG
(3-(4-Amino-3-iodo-phenyl)-N-(2-{2-[4-(2,6-dioxo-1,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCc2ccc(N)c(I)c2)cc1
Show InChI InChI=1S/C30H36IN7O5/c1-3-15-37-28-26(29(41)38(16-4-2)30(37)42)35-27(36-28)20-7-9-21(10-8-20)43-18-25(40)34-14-13-33-24(39)12-6-19-5-11-23(32)22(31)17-19/h5,7-11,17H,3-4,6,12-16,18,32H2,1-2H3,(H,33,39)(H,34,40)(H,35,36)
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PC cid
PC sid
UniChem

Similars

PubMed
0.100n/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 in bovine brain cortical membranes


Citation and Details
More data for this
Ligand-Target Pair