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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 = 'BDBM191866'   
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


(Homo sapiens (Human))
BDBM191866
PNG
(US9187428, 94)
Show SMILES CNC(=O)c1cccc(CSc2nc(N3CC[C@@H](O)C3)c(C#N)c(-c3ccc(OCCO)cc3)c2C#N)c1
Show InChI InChI=1S/C28H27N5O4S/c1-31-27(36)20-4-2-3-18(13-20)17-38-28-24(15-30)25(19-5-7-22(8-6-19)37-12-11-34)23(14-29)26(32-28)33-10-9-21(35)16-33/h2-8,13,21,34-35H,9-12,16-17H2,1H3,(H,31,36)/t21-/m1/s1
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Similars

US Patent
n/an/an/an/a 0.200n/an/a7.437



Bayer Intellectual Property GmbH

US Patent


Assay Description
The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...


US Patent US9187428 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93Q4
More data for this
Ligand-Target Pair