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BDBM50321543 CHEMBL1172277::N-(7-(N-ethylacetamido)-4-methoxybenzo[d]thiazol-2-yl)-4-((N-methylmethylsulfonamido)methyl)benzamide

SMILES: CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12

InChI Key: InChIKey=BRNRRMOSNLXPPS-UHFFFAOYSA-N

Data: 3 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50321543   
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 A2b


(Homo sapiens (Human))
BDBM50321543
PNG
(CHEMBL1172277 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12
Show InChI InChI=1S/C22H26N4O5S2/c1-6-26(14(2)27)17-11-12-18(31-4)19-20(17)32-22(23-19)24-21(28)16-9-7-15(8-10-16)13-25(3)33(5,29)30/h7-12H,6,13H2,1-5H3,(H,23,24,28)
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4n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50321543
PNG
(CHEMBL1172277 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12
Show InChI InChI=1S/C22H26N4O5S2/c1-6-26(14(2)27)17-11-12-18(31-4)19-20(17)32-22(23-19)24-21(28)16-9-7-15(8-10-16)13-25(3)33(5,29)30/h7-12H,6,13H2,1-5H3,(H,23,24,28)
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PubMed
71n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50321543
PNG
(CHEMBL1172277 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12
Show InChI InChI=1S/C22H26N4O5S2/c1-6-26(14(2)27)17-11-12-18(31-4)19-20(17)32-22(23-19)24-21(28)16-9-7-15(8-10-16)13-25(3)33(5,29)30/h7-12H,6,13H2,1-5H3,(H,23,24,28)
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410n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50321543
PNG
(CHEMBL1172277 | N-(7-(N-ethylacetamido)-4-methoxyb...)
Show SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(CN(C)S(C)(=O)=O)cc3)sc12
Show InChI InChI=1S/C22H26N4O5S2/c1-6-26(14(2)27)17-11-12-18(31-4)19-20(17)32-22(23-19)24-21(28)16-9-7-15(8-10-16)13-25(3)33(5,29)30/h7-12H,6,13H2,1-5H3,(H,23,24,28)
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n/an/a 19n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of adenosine-induced cAMP production


Bioorg Med Chem Lett 20: 4140-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.056
BindingDB Entry DOI: 10.7270/Q21Z45DJ
More data for this
Ligand-Target Pair