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BDBM50117105 CHEMBL3613132

SMILES: COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(Cl)c(Cl)c2)c1C#N

InChI Key: InChIKey=CBPHXHYFYWNXSM-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117105   
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


(Homo sapiens (human))
BDBM50117105
PNG
(CHEMBL3613132)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(Cl)c(Cl)c2)c1C#N
Show InChI InChI=1S/C24H15Cl2N5OS2/c1-32-16-5-2-13(3-6-16)21-17(9-27)22(29)31-24(18(21)10-28)34-12-15-11-33-23(30-15)14-4-7-19(25)20(26)8-14/h2-8,11H,12H2,1H3,(H2,29,31)
PDB

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PC cid
PC sid
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Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay


Eur J Med Chem 101: 681-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.023
BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair