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BDBM21216 2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quinoxaline::2-[4-(ethylsulfanyl)-1H-benzimidazol-2-yl]quinoxaline::CHEMBL198008::benzimidazole-quinoxaline, C2

SMILES: CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1

InChI Key: InChIKey=IHVQPVYBIZVMSJ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 21216   
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))
BDBM21216
PNG
(2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...)
Show SMILES CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H14N4S/c1-2-22-15-9-5-8-13-16(15)21-17(20-13)14-10-18-11-6-3-4-7-12(11)19-14/h3-10H,2H2,1H3,(H,20,21)
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Article
PubMed
0.5 -12.7n/an/an/an/an/a7.425



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A1 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM21216
PNG
(2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...)
Show SMILES CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H14N4S/c1-2-22-15-9-5-8-13-16(15)21-17(20-13)14-10-18-11-6-3-4-7-12(11)19-14/h3-10H,2H2,1H3,(H,20,21)
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PubMed
0.5n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


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


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21216
PNG
(2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...)
Show SMILES CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H14N4S/c1-2-22-15-9-5-8-13-16(15)21-17(20-13)14-10-18-11-6-3-4-7-12(11)19-14/h3-10H,2H2,1H3,(H,20,21)
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955n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A3 receptors were used in binding assays. Nonspecific binding was determined i...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM21216
PNG
(2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...)
Show SMILES CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H14N4S/c1-2-22-15-9-5-8-13-16(15)21-17(20-13)14-10-18-11-6-3-4-7-12(11)19-14/h3-10H,2H2,1H3,(H,20,21)
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955n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


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


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM21216
PNG
(2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...)
Show SMILES CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H14N4S/c1-2-22-15-9-5-8-13-16(15)21-17(20-13)14-10-18-11-6-3-4-7-12(11)19-14/h3-10H,2H2,1H3,(H,20,21)
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PubMed
3.44E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


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


J Med Chem 48: 8253-60 (2005)


Article DOI: 10.1021/jm050792d
BindingDB Entry DOI: 10.7270/Q2RF5VTX
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM21216
PNG
(2-[4-(ethylsulfanyl)-1H-1,3-benzodiazol-2-yl]quino...)
Show SMILES CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H14N4S/c1-2-22-15-9-5-8-13-16(15)21-17(20-13)14-10-18-11-6-3-4-7-12(11)19-14/h3-10H,2H2,1H3,(H,20,21)
PDB
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NCI pathway
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UniChem

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Article
PubMed
3.44E+3n/an/an/an/an/an/an/an/a



Universita di Napoli



Assay Description
The membranes prepared from CHO cells transfected with human adenosine A2A receptors were used in binding assays. Nonspecific binding was determined ...


J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
BindingDB Entry DOI: 10.7270/Q2MP51JK
More data for this
Ligand-Target Pair