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BDBM50024563 CHEMBL3330574

SMILES: CC(C)(C)Cc1c(sc(N)c1C(=O)c1ccc(Cl)cc1)C#Cc1ccccc1

InChI Key: InChIKey=IOXKZTKWCOVDBE-UHFFFAOYSA-N

Data: 1 Kd

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50024563   
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))
BDBM50024563
PNG
(CHEMBL3330574)
Show SMILES CC(C)(C)Cc1c(sc(N)c1C(=O)c1ccc(Cl)cc1)C#Cc1ccccc1
Show InChI InChI=1S/C24H22ClNOS/c1-24(2,3)15-19-20(14-9-16-7-5-4-6-8-16)28-23(26)21(19)22(27)17-10-12-18(25)13-11-17/h4-8,10-13H,15,26H2,1-3H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 0.460n/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Allosteric enhancer activity at human adenosine A1 receptor expressed in CHO cell membranes assessed as [3H]NECA affinity constant at 1 uM (Kd = 0.87...


J Med Chem 57: 7673-86 (2014)


Article DOI: 10.1021/jm5008853
BindingDB Entry DOI: 10.7270/Q2SQ91ZC
More data for this
Ligand-Target Pair