BindingDB logo
myBDB logout

7 similar compounds to monomer 21235

Compile data set for download or QSAR
Wt: 351.8
BDBM21234
Wt: 347.4
BDBM21236
Wt: 337.8
BDBM21239
Wt: 365.8
BDBM21240
Wt: 317.4
BDBM21231
Wt: 351.8
BDBM21232
Wt: 351.8
BDBM21233

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 21234,21236,21239,21240,21231,21232,21233   
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 A3


(Homo sapiens (Human))
BDBM21236
PNG
(2-mercaptopyrimidine analogue, 5o | N-{6-[(4-metho...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1
Show InChI InChI=1S/C17H21N3O3S/c1-4-9-24-17-19-15(18-12(2)21)10-16(20-17)23-11-13-5-7-14(22-3)8-6-13/h5-8,10H,4,9,11H2,1-3H3,(H,18,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80n/an/an/a 2.70n/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))
BDBM21239
PNG
(2-mercaptopyrimidine analogue, 5r | N-{6-[(4-chlor...)
Show SMILES CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C15H16ClN3O2S/c1-3-22-15-18-13(17-10(2)20)8-14(19-15)21-9-11-4-6-12(16)7-5-11/h4-8H,3,9H2,1-2H3,(H,17,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/a 1.84n/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))
BDBM21234
PNG
(2-mercaptopyrimidine analogue, 5m | N-{6-[(4-chlor...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H18ClN3O2S/c1-3-8-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-4-6-13(17)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.5n/an/an/a 9.20n/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))
BDBM21232
PNG
(2-mercaptopyrimidine analogue, 5k | N-{6-[(2-chlor...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccccc2Cl)n1
Show InChI InChI=1S/C16H18ClN3O2S/c1-3-8-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-6-4-5-7-13(12)17/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.30n/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))
BDBM21233
PNG
(2-mercaptopyrimidine analogue, 5l | N-{6-[(3-chlor...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C16H18ClN3O2S/c1-3-7-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-5-4-6-13(17)8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.10n/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))
BDBM21231
PNG
(2-mercaptopyrimidine analogue, 5j | N-[6-(benzylox...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccccc2)n1
Show InChI InChI=1S/C16H19N3O2S/c1-3-9-22-16-18-14(17-12(2)20)10-15(19-16)21-11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,17,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.5n/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))
BDBM21240
PNG
(2-mercaptopyrimidine analogue, 5s | N-[2-(tert-but...)
Show SMILES CC(=O)Nc1cc(OCc2ccc(Cl)cc2)nc(SC(C)(C)C)n1
Show InChI InChI=1S/C17H20ClN3O2S/c1-11(22)19-14-9-15(21-16(20-14)24-17(2,3)4)23-10-12-5-7-13(18)8-6-12/h5-9H,10H2,1-4H3,(H,19,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.60n/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 A1


(Homo sapiens (Human))
BDBM21233
PNG
(2-mercaptopyrimidine analogue, 5l | N-{6-[(3-chlor...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C16H18ClN3O2S/c1-3-7-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-5-4-6-13(17)8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
582 -8.50n/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))
BDBM21232
PNG
(2-mercaptopyrimidine analogue, 5k | N-{6-[(2-chlor...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccccc2Cl)n1
Show InChI InChI=1S/C16H18ClN3O2S/c1-3-8-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-6-4-5-7-13(12)17/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.84E+3 -7.82n/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))
BDBM21236
PNG
(2-mercaptopyrimidine analogue, 5o | N-{6-[(4-metho...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1
Show InChI InChI=1S/C17H21N3O3S/c1-4-9-24-17-19-15(18-12(2)21)10-16(20-17)23-11-13-5-7-14(22-3)8-6-13/h5-8,10H,4,9,11H2,1-3H3,(H,18,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.44E+3 -7.65n/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))
BDBM21231
PNG
(2-mercaptopyrimidine analogue, 5j | N-[6-(benzylox...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccccc2)n1
Show InChI InChI=1S/C16H19N3O2S/c1-3-9-22-16-18-14(17-12(2)20)10-15(19-16)21-11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,17,18,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.45E+3 -7.65n/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 A2


(Homo sapiens (Human))
BDBM21232
PNG
(2-mercaptopyrimidine analogue, 5k | N-{6-[(2-chlor...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccccc2Cl)n1
Show InChI InChI=1S/C16H18ClN3O2S/c1-3-8-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-6-4-5-7-13(12)17/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.15E+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
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21239
PNG
(2-mercaptopyrimidine analogue, 5r | N-{6-[(4-chlor...)
Show SMILES CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C15H16ClN3O2S/c1-3-22-15-18-13(17-10(2)20)8-14(19-15)21-9-11-4-6-12(16)7-5-11/h4-8H,3,9H2,1-2H3,(H,17,18,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.48E+3 -7.29n/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 A2


(Homo sapiens (Human))
BDBM21240
PNG
(2-mercaptopyrimidine analogue, 5s | N-[2-(tert-but...)
Show SMILES CC(=O)Nc1cc(OCc2ccc(Cl)cc2)nc(SC(C)(C)C)n1
Show InChI InChI=1S/C17H20ClN3O2S/c1-11(22)19-14-9-15(21-16(20-14)24-17(2,3)4)23-10-12-5-7-13(18)8-6-12/h5-9H,10H2,1-4H3,(H,19,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/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
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21240
PNG
(2-mercaptopyrimidine analogue, 5s | N-[2-(tert-but...)
Show SMILES CC(=O)Nc1cc(OCc2ccc(Cl)cc2)nc(SC(C)(C)C)n1
Show InChI InChI=1S/C17H20ClN3O2S/c1-11(22)19-14-9-15(21-16(20-14)24-17(2,3)4)23-10-12-5-7-13(18)8-6-12/h5-9H,10H2,1-4H3,(H,19,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/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))
BDBM21234
PNG
(2-mercaptopyrimidine analogue, 5m | N-{6-[(4-chlor...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H18ClN3O2S/c1-3-8-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-4-6-13(17)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/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 A2


(Homo sapiens (Human))
BDBM21239
PNG
(2-mercaptopyrimidine analogue, 5r | N-{6-[(4-chlor...)
Show SMILES CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C15H16ClN3O2S/c1-3-22-15-18-13(17-10(2)20)8-14(19-15)21-9-11-4-6-12(16)7-5-11/h4-8H,3,9H2,1-2H3,(H,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/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
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21236
PNG
(2-mercaptopyrimidine analogue, 5o | N-{6-[(4-metho...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1
Show InChI InChI=1S/C17H21N3O3S/c1-4-9-24-17-19-15(18-12(2)21)10-16(20-17)23-11-13-5-7-14(22-3)8-6-13/h5-8,10H,4,9,11H2,1-3H3,(H,18,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/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
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21234
PNG
(2-mercaptopyrimidine analogue, 5m | N-{6-[(4-chlor...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H18ClN3O2S/c1-3-8-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-4-6-13(17)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/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
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21233
PNG
(2-mercaptopyrimidine analogue, 5l | N-{6-[(3-chlor...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C16H18ClN3O2S/c1-3-7-23-16-19-14(18-11(2)21)9-15(20-16)22-10-12-5-4-6-13(17)8-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/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
Adenosine receptor A2


(Homo sapiens (Human))
BDBM21231
PNG
(2-mercaptopyrimidine analogue, 5j | N-[6-(benzylox...)
Show SMILES CCCSc1nc(NC(C)=O)cc(OCc2ccccc2)n1
Show InChI InChI=1S/C16H19N3O2S/c1-3-9-22-16-18-14(17-12(2)20)10-15(19-16)21-11-13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3,(H,17,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/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