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BDBM50097431 4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide::4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide(LUF5433)::4-methoxy-N-(4-phenylthiazol-2-yl)benzamide::CHEMBL60156::LUF-5433

SMILES: COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1

InChI Key: InChIKey=FVWGKRAXWKLEHX-UHFFFAOYSA-N

Data: 9 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50097431   
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


(Rattus norvegicus (rat))
BDBM50097431
PNG
(4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide | 4-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c1-21-14-9-7-13(8-10-14)16(20)19-17-18-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
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76n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane


Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50097431
PNG
(4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide | 4-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c1-21-14-9-7-13(8-10-14)16(20)19-17-18-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
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Article
PubMed
76n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortical membrane in presence of 100 uM GTP


Bioorg Med Chem 18: 2195-203 (2010)


Article DOI: 10.1016/j.bmc.2010.01.072
BindingDB Entry DOI: 10.7270/Q2BZ670J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50097431
PNG
(4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide | 4-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c1-21-14-9-7-13(8-10-14)16(20)19-17-18-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
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76n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane


J Med Chem 44: 749-62 (2001)


BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50097431
PNG
(4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide | 4-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c1-21-14-9-7-13(8-10-14)16(20)19-17-18-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
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670n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB MECA from human Adenosine A3 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50097431
PNG
(4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide | 4-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c1-21-14-9-7-13(8-10-14)16(20)19-17-18-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
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PubMed
670n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor


Bioorg Med Chem 18: 2195-203 (2010)


Article DOI: 10.1016/j.bmc.2010.01.072
BindingDB Entry DOI: 10.7270/Q2BZ670J
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50097431
PNG
(4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide | 4-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c1-21-14-9-7-13(8-10-14)16(20)19-17-18-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
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670n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells


J Med Chem 44: 749-62 (2001)


BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50097431
PNG
(4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide | 4-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c1-21-14-9-7-13(8-10-14)16(20)19-17-18-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
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1.90E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatum membrane


Bioorg Med Chem 18: 2195-203 (2010)


Article DOI: 10.1016/j.bmc.2010.01.072
BindingDB Entry DOI: 10.7270/Q2BZ670J
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50097431
PNG
(4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide | 4-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c1-21-14-9-7-13(8-10-14)16(20)19-17-18-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
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1.90E+3n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM-241,385 from A2A receptor in rat striatal membrane


Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50097431
PNG
(4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide | 4-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c1-21-14-9-7-13(8-10-14)16(20)19-17-18-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
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1.90E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 or [3H]ZM-241385 binding in adenosine A2A receptor of rat striatal membrane was determined


J Med Chem 44: 749-62 (2001)


BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair