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BDBM50308491 CHEMBL592679::N-(5-(4-Methylbenzoyl)-4-phenylthiazol-2-yl)benzamide

SMILES: Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1

InChI Key: InChIKey=DOTUNKPRWZJBPQ-UHFFFAOYSA-N

Data: 6 KI  2 IC50

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 8 hits for monomerid = 50308491   
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))
BDBM50308491
PNG
(CHEMBL592679 | N-(5-(4-Methylbenzoyl)-4-phenylthia...)
Show SMILES Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C24H18N2O2S/c1-16-12-14-18(15-13-16)21(27)22-20(17-8-4-2-5-9-17)25-24(29-22)26-23(28)19-10-6-3-7-11-19/h2-15H,1H3,(H,25,26,28)
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PubMed
4.80n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex 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 receptor A1


(Homo sapiens (Human))
BDBM50308491
PNG
(CHEMBL592679 | N-(5-(4-Methylbenzoyl)-4-phenylthia...)
Show SMILES Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C24H18N2O2S/c1-16-12-14-18(15-13-16)21(27)22-20(17-8-4-2-5-9-17)25-24(29-22)26-23(28)19-10-6-3-7-11-19/h2-15H,1H3,(H,25,26,28)
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57n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


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 A2b


(Homo sapiens (Human))
BDBM50308491
PNG
(CHEMBL592679 | N-(5-(4-Methylbenzoyl)-4-phenylthia...)
Show SMILES Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C24H18N2O2S/c1-16-12-14-18(15-13-16)21(27)22-20(17-8-4-2-5-9-17)25-24(29-22)26-23(28)19-10-6-3-7-11-19/h2-15H,1H3,(H,25,26,28)
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human adenosine A2B receptor expressed in CHO cells


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))
BDBM50308491
PNG
(CHEMBL592679 | N-(5-(4-Methylbenzoyl)-4-phenylthia...)
Show SMILES Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C24H18N2O2S/c1-16-12-14-18(15-13-16)21(27)22-20(17-8-4-2-5-9-17)25-24(29-22)26-23(28)19-10-6-3-7-11-19/h2-15H,1H3,(H,25,26,28)
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>1.00E+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 receptor A3


(Homo sapiens (Human))
BDBM50308491
PNG
(CHEMBL592679 | N-(5-(4-Methylbenzoyl)-4-phenylthia...)
Show SMILES Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C24H18N2O2S/c1-16-12-14-18(15-13-16)21(27)22-20(17-8-4-2-5-9-17)25-24(29-22)26-23(28)19-10-6-3-7-11-19/h2-15H,1H3,(H,25,26,28)
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PubMed
2.16E+3n/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 A2


(Homo sapiens (Human))
BDBM50308491
PNG
(CHEMBL592679 | N-(5-(4-Methylbenzoyl)-4-phenylthia...)
Show SMILES Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C24H18N2O2S/c1-16-12-14-18(15-13-16)21(27)22-20(17-8-4-2-5-9-17)25-24(29-22)26-23(28)19-10-6-3-7-11-19/h2-15H,1H3,(H,25,26,28)
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PubMed
6.25E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from human adenosine A2A receptor expressed in CHO cells


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))
BDBM50308491
PNG
(CHEMBL592679 | N-(5-(4-Methylbenzoyl)-4-phenylthia...)
Show SMILES Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C24H18N2O2S/c1-16-12-14-18(15-13-16)21(27)22-20(17-8-4-2-5-9-17)25-24(29-22)26-23(28)19-10-6-3-7-11-19/h2-15H,1H3,(H,25,26,28)
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n/an/a 22n/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 absence 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))
BDBM50308491
PNG
(CHEMBL592679 | N-(5-(4-Methylbenzoyl)-4-phenylthia...)
Show SMILES Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C24H18N2O2S/c1-16-12-14-18(15-13-16)21(27)22-20(17-8-4-2-5-9-17)25-24(29-22)26-23(28)19-10-6-3-7-11-19/h2-15H,1H3,(H,25,26,28)
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n/an/a 22n/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