new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 217 hits with Last Name = 'forsyth' and Initial = 'n'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074220
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCF)c1CC
Show InChI InChI=1S/C21H24FNO3S/c1-4-15-17(21(25)27-6-3)16(5-2)23-19(14-10-8-7-9-11-14)18(15)20(24)26-13-12-22/h7-11H,4-6,12-13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.22n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074233
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C22H27NO3S/c1-5-14-26-21(24)19-16(6-2)18(22(25)27-8-4)17(7-3)23-20(19)15-12-10-9-11-13-15/h9-13H,5-8,14H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
8.29n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074223
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCCCF
Show InChI InChI=1S/C23H28FNO3S/c1-4-11-17-19(23(27)29-6-3)18(5-2)25-21(16-12-8-7-9-13-16)20(17)22(26)28-15-10-14-24/h7-9,12-13H,4-6,10-11,14-15H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
9.67n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50074221
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-4-(2-hydroxy-ethyl...)
Show SMILES CCCOC(=O)c1c(CCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C22H27NO4S/c1-4-14-27-21(25)19-16(12-13-24)18(22(26)28-6-3)17(5-2)23-20(19)15-10-8-7-9-11-15/h7-11,24H,4-6,12-14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10.3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074213
PNG
(5-Oxo-2-phenyl-4-propyl-7,8-dihydro-5H-thiopyrano[...)
Show SMILES CCCc1c(C(=O)OCC)c(nc2CCSC(=O)c12)-c1ccccc1
Show InChI InChI=1S/C20H21NO3S/c1-3-8-14-16-15(11-12-25-20(16)23)21-18(13-9-6-5-7-10-13)17(14)19(22)24-4-2/h5-7,9-10H,3-4,8,11-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074225
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO3S/c1-5-12-17-19(23(26)28-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)22(25)27-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
18.9n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074231
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C21H25NO3S/c1-5-15-17(21(24)26-8-4)16(6-2)22-19(14-12-10-9-11-13-14)18(15)20(23)25-7-3/h9-13H,5-8H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
20n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074237
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-(2-fluoro-phenyl...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1F
Show InChI InChI=1S/C23H28FNO3S/c1-5-11-16-19(23(27)29-8-4)18(7-3)25-21(15-12-9-10-13-17(15)24)20(16)22(26)28-14-6-2/h9-10,12-13H,5-8,11,14H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
23n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50074222
PNG
(6-(2-Benzyloxy-ethyl)-5-ethylsulfanylcarbonyl-2-ph...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C30H35NO4S/c1-4-13-24-26(30(33)36-6-3)25(18-20-34-21-22-14-9-7-10-15-22)31-28(23-16-11-8-12-17-23)27(24)29(32)35-19-5-2/h7-12,14-17H,4-6,13,18-21H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
26n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074218
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-(3-fluoro-phenyl...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1cccc(F)c1
Show InChI InChI=1S/C23H28FNO3S/c1-5-10-17-19(23(27)29-8-4)18(7-3)25-21(15-11-9-12-16(24)14-15)20(17)22(26)28-13-6-2/h9,11-12,14H,5-8,10,13H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
28.9n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074217
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-(4-fluoro-phenyl...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C23H28FNO3S/c1-5-9-17-19(23(27)29-8-4)18(7-3)25-21(15-10-12-16(24)13-11-15)20(17)22(26)28-14-6-2/h10-13H,5-9,14H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
31.1n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50142891
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES COc1ccc(Br)cc1CCc1ccccc1C1=NCCN1 |t:19|
Show InChI InChI=1S/C18H19BrN2O/c1-22-17-9-8-15(19)12-14(17)7-6-13-4-2-3-5-16(13)18-20-10-11-21-18/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,20,21)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
39n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...


J Med Chem 47: 1602-4 (2004)


Article DOI: 10.1021/jm034244g
BindingDB Entry DOI: 10.7270/Q2JQ10GG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50074231
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C21H25NO3S/c1-5-15-17(21(24)26-8-4)16(6-2)22-19(14-12-10-9-11-13-14)18(15)20(23)25-7-3/h9-13H,5-8H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
41n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor in rat brain membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074239
PNG
(6-Ethyl-5-(2-hydroxy-ethylsulfanylcarbonyl)-2-phen...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCO)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO4S/c1-4-10-17-19(23(27)29-15-13-25)18(6-3)24-21(16-11-8-7-9-12-16)20(17)22(26)28-14-5-2/h7-9,11-12,25H,4-6,10,13-15H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
51.1n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074216
PNG
(6-Ethyl-5-(2-fluoro-ethylsulfanylcarbonyl)-2-pheny...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCF)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H28FNO3S/c1-4-10-17-19(23(27)29-15-13-24)18(6-3)25-21(16-11-8-7-9-12-16)20(17)22(26)28-14-5-2/h7-9,11-12H,4-6,10,13-15H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
55.1n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074228
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-4-(3-fluoro-propyl...)
Show SMILES CCCOC(=O)c1c(CCCF)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H28FNO3S/c1-4-15-28-22(26)20-17(13-10-14-24)19(23(27)29-6-3)18(5-2)25-21(20)16-11-8-7-9-12-16/h7-9,11-12H,4-6,10,13-15H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
59.9n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50142894
PNG
(2-[2-(5-Bromo-2-methoxy-benzylsulfanyl)-phenyl]-1,...)
Show SMILES COc1ccc(Br)cc1CSc1ccccc1C1=NCCCN1 |t:19|
Show InChI InChI=1S/C18H19BrN2OS/c1-22-16-8-7-14(19)11-13(16)12-23-17-6-3-2-5-15(17)18-20-9-4-10-21-18/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,20,21)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
67n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...


J Med Chem 47: 1602-4 (2004)


Article DOI: 10.1021/jm034244g
BindingDB Entry DOI: 10.7270/Q2JQ10GG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074215
PNG
(6-Ethyl-5-(3-fluoro-propylsulfanylcarbonyl)-2-phen...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C24H30FNO3S/c1-4-11-18-20(24(28)30-16-10-14-25)19(6-3)26-22(17-12-8-7-9-13-17)21(18)23(27)29-15-5-2/h7-9,12-13H,4-6,10-11,14-16H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
82.8n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074222
PNG
(6-(2-Benzyloxy-ethyl)-5-ethylsulfanylcarbonyl-2-ph...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CCOCc2ccccc2)nc1-c1ccccc1
Show InChI InChI=1S/C30H35NO4S/c1-4-13-24-26(30(33)36-6-3)25(18-20-34-21-22-14-9-7-10-15-22)31-28(23-16-11-8-12-17-23)27(24)29(32)35-19-5-2/h7-12,14-17H,4-6,13,18-21H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
109n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50074225
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO3S/c1-5-12-17-19(23(26)28-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)22(25)27-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
113n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor stably expressed in CHO cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074210
PNG
(4-(2-Acetylsulfanyl-ethyl)-6-ethyl-5-ethylsulfanyl...)
Show SMILES CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C24H29NO4S2/c1-5-14-29-23(27)21-18(13-15-31-16(4)26)20(24(28)30-7-3)19(6-2)25-22(21)17-11-9-8-10-12-17/h8-12H,5-7,13-15H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
124n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148972
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES COc1ccc(Br)cc1CCc1ccccc1-c1nc(C)c(C)n1C
Show InChI InChI=1S/C21H23BrN2O/c1-14-15(2)24(3)21(23-14)19-8-6-5-7-16(19)9-10-17-13-18(22)11-12-20(17)25-4/h5-8,11-13H,9-10H2,1-4H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
140n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50074215
PNG
(6-Ethyl-5-(3-fluoro-propylsulfanylcarbonyl)-2-phen...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C24H30FNO3S/c1-4-11-18-20(24(28)30-16-10-14-25)19(6-3)26-22(17-12-8-7-9-13-17)21(18)23(27)29-15-5-2/h7-9,12-13H,4-6,10-11,14-16H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
156n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor stably expressed in CHO cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50142895
PNG
(2-(2-(5-bromo-2-methoxyphenethyl)-3-fluorophenyl)-...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C1=NCCN1 |t:20|
Show InChI InChI=1S/C18H18BrFN2O/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,21,22)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
160n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...


J Med Chem 47: 1602-4 (2004)


Article DOI: 10.1021/jm034244g
BindingDB Entry DOI: 10.7270/Q2JQ10GG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074236
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-4-(3-hydroxy-propy...)
Show SMILES CCCOC(=O)c1c(CCCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H29NO4S/c1-4-15-28-22(26)20-17(13-10-14-25)19(23(27)29-6-3)18(5-2)24-21(20)16-11-8-7-9-12-16/h7-9,11-12,25H,4-6,10,13-15H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
169n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148977
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES COc1ccc(Br)cc1CCc1ccccc1-c1ncc(C)n1C
Show InChI InChI=1S/C20H21BrN2O/c1-14-13-22-20(23(14)2)18-7-5-4-6-15(18)8-9-16-12-17(21)10-11-19(16)24-3/h4-7,10-13H,8-9H2,1-3H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
180n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148974
PNG
(3-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc2CCCn12
Show InChI InChI=1S/C21H20BrClN2O/c1-26-20-10-8-15(22)12-14(20)7-9-17-18(5-2-6-19(17)23)21-24-13-16-4-3-11-25(16)21/h2,5-6,8,10,12-13H,3-4,7,9,11H2,1H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
180n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50074233
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C22H27NO3S/c1-5-14-26-21(24)19-16(6-2)18(22(25)27-8-4)17(7-3)23-20(19)15-12-10-9-11-13-15/h9-13H,5-8,14H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
183n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor stably expressed in CHO cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074232
PNG
(6-(2-Acetylsulfanyl-ethyl)-5-ethylsulfanylcarbonyl...)
Show SMILES CCCc1c(C(=O)SCC)c(CCSC(C)=O)nc(-c2ccccc2)c1C(=O)OCC
Show InChI InChI=1S/C24H29NO4S2/c1-5-11-18-20(24(28)30-7-3)19(14-15-31-16(4)26)25-22(17-12-9-8-10-13-17)21(18)23(27)29-6-2/h8-10,12-13H,5-7,11,14-15H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
193n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50142897
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES COc1ccc(Br)cc1CCc1ccccc1C1=NCCCN1 |t:19|
Show InChI InChI=1S/C19H21BrN2O/c1-23-18-10-9-16(20)13-15(18)8-7-14-5-2-3-6-17(14)19-21-11-4-12-22-19/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3,(H,21,22)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
220n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...


J Med Chem 47: 1602-4 (2004)


Article DOI: 10.1021/jm034244g
BindingDB Entry DOI: 10.7270/Q2JQ10GG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074227
PNG
(2-(3-Chloro-phenyl)-4,6-diethyl-5-hexylsulfanylcar...)
Show SMILES CCCCCCSC(=O)c1c(CC)nc(-c2cccc(Cl)c2)c(C(=O)OCCC)c1CC
Show InChI InChI=1S/C26H34ClNO3S/c1-5-9-10-11-16-32-26(30)22-20(7-3)23(25(29)31-15-6-2)24(28-21(22)8-4)18-13-12-14-19(27)17-18/h12-14,17H,5-11,15-16H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
220n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074230
PNG
(4-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-...)
Show SMILES CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C29H28N2O5S/c1-4-22-23(29(35)37-6-3)21(16-17-31-26(32)19-14-10-11-15-20(19)27(31)33)24(28(34)36-5-2)25(30-22)18-12-8-7-9-13-18/h7-15H,4-6,16-17H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
243n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074219
PNG
(8-Ethyl-1-oxo-6-phenyl-3,4-dihydro-1H-thiopyrano[3...)
Show SMILES CCCOC(=O)c1c2CCSC(=O)c2c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C20H21NO3S/c1-3-11-24-19(22)17-14-10-12-25-20(23)16(14)15(4-2)21-18(17)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
248n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074221
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-4-(2-hydroxy-ethyl...)
Show SMILES CCCOC(=O)c1c(CCO)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C22H27NO4S/c1-4-14-27-21(25)19-16(12-13-24)18(22(26)28-6-3)17(5-2)23-20(19)15-10-8-7-9-11-15/h7-11,24H,4-6,12-14H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
262n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148976
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES COc1ccc(Br)cc1CCc1ccccc1-c1nc(C)cn1C
Show InChI InChI=1S/C20H21BrN2O/c1-14-13-23(2)20(22-14)18-7-5-4-6-15(18)8-9-16-12-17(21)10-11-19(16)24-3/h4-7,10-13H,8-9H2,1-3H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
270n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148967
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1C
Show InChI InChI=1S/C19H18BrClN2O/c1-23-11-10-22-19(23)16-4-3-5-17(21)15(16)8-6-13-12-14(20)7-9-18(13)24-2/h3-5,7,9-12H,6,8H2,1-2H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
300n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148969
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES CCn1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C20H20BrClN2O/c1-3-24-12-11-23-20(24)17-5-4-6-18(22)16(17)9-7-14-13-15(21)8-10-19(14)25-2/h4-6,8,10-13H,3,7,9H2,1-2H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
310n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148973
PNG
(3-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-fluoro...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1-c1ncc2CCCn12
Show InChI InChI=1S/C21H20BrFN2O/c1-26-20-10-8-15(22)12-14(20)7-9-17-18(5-2-6-19(17)23)21-24-13-16-4-3-11-25(16)21/h2,5-6,8,10,12-13H,3-4,7,9,11H2,1H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
320n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148978
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES CCc1cnc(-c2ccccc2CCc2cc(Br)ccc2OC)n1C
Show InChI InChI=1S/C21H23BrN2O/c1-4-18-14-23-21(24(18)2)19-8-6-5-7-15(19)9-10-16-13-17(22)11-12-20(16)25-3/h5-8,11-14H,4,9-10H2,1-3H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
320n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148983
PNG
(3-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc2CCCCn12
Show InChI InChI=1S/C22H22BrClN2O/c1-27-21-11-9-16(23)13-15(21)8-10-18-19(6-4-7-20(18)24)22-25-14-17-5-2-3-12-26(17)22/h4,6-7,9,11,13-14H,2-3,5,8,10,12H2,1H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
340n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50074231
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C21H25NO3S/c1-5-15-17(21(24)26-8-4)16(6-2)22-19(14-12-10-9-11-13-14)18(15)20(23)25-7-3/h9-13H,5-8H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
410n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor stably expressed in CHO cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074238
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C23H24F5NO3S/c1-4-10-15-17(21(31)33-6-3)16(5-2)29-19(14-11-8-7-9-12-14)18(15)20(30)32-13-22(24,25)23(26,27)28/h7-9,11-12H,4-6,10,13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
446n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50074230
PNG
(4-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-...)
Show SMILES CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C29H28N2O5S/c1-4-22-23(29(35)37-6-3)21(16-17-31-26(32)19-14-10-11-15-20(19)27(31)33)24(28(34)36-5-2)25(30-22)18-12-8-7-9-13-18/h7-15H,4-6,16-17H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
490n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor in rat brain membranes.


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50074223
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Show SMILES CCCc1c(C(=O)SCC)c(CC)nc(-c2ccccc2)c1C(=O)OCCCF
Show InChI InChI=1S/C23H28FNO3S/c1-4-11-17-19(23(27)29-6-3)18(5-2)25-21(16-12-8-7-9-13-16)20(17)22(26)28-15-10-14-24/h7-9,12-13H,4-6,10-11,14-15H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
512n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor stably expressed in CHO cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50074224
PNG
(6-Ethyl-2-phenyl-4-propyl-5-[2-(tetrahydro-pyran-2...)
Show SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCCOC2CCCCO2)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C28H37NO5S/c1-4-12-21-24(28(31)35-19-18-33-23-15-10-11-17-32-23)22(6-3)29-26(20-13-8-7-9-14-20)25(21)27(30)34-16-5-2/h7-9,13-14,23H,4-6,10-12,15-19H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
517n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50074220
PNG
(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Show SMILES CCSC(=O)c1c(CC)nc(-c2ccccc2)c(C(=O)OCCF)c1CC
Show InChI InChI=1S/C21H24FNO3S/c1-4-15-17(21(25)27-6-3)16(5-2)23-19(14-10-8-7-9-11-14)18(15)20(24)26-13-12-22/h7-11H,4-6,12-13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
600n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor stably expressed in CHO cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148981
PNG
(3-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-fluoro...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1-c1ncc2CCCCn12
Show InChI InChI=1S/C22H22BrFN2O/c1-27-21-11-9-16(23)13-15(21)8-10-18-19(6-4-7-20(18)24)22-25-14-17-5-2-3-12-26(17)22/h4,6-7,9,11,13-14H,2-3,5,8,10,12H2,1H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
620n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148971
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1C(C)C
Show InChI InChI=1S/C21H22BrClN2O/c1-14(2)25-12-11-24-21(25)18-5-4-6-19(23)17(18)9-7-15-13-16(22)8-10-20(15)26-3/h4-6,8,10-14H,7,9H2,1-3H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
670n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148984
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES CCc1cn(C)c(n1)-c1ccccc1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C21H23BrN2O/c1-4-18-14-24(2)21(23-18)19-8-6-5-7-15(19)9-10-16-13-17(22)11-12-20(16)25-3/h5-8,11-14H,4,9-10H2,1-3H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
690n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50074228
PNG
(6-Ethyl-5-ethylsulfanylcarbonyl-4-(3-fluoro-propyl...)
Show SMILES CCCOC(=O)c1c(CCCF)c(C(=O)SCC)c(CC)nc1-c1ccccc1
Show InChI InChI=1S/C23H28FNO3S/c1-4-15-28-22(26)20-17(13-10-14-24)19(23(27)29-6-3)18(5-2)25-21(20)16-11-8-7-9-12-16/h7-9,11-12H,4-6,10,13-15H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
900n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at rat Adenosine A3 receptor stably expressed in CHO cells


J Med Chem 42: 706-21 (1999)


Article DOI: 10.1021/jm980550w
BindingDB Entry DOI: 10.7270/Q2TQ60Q0
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 217 total )  |  Next  |  Last  >>
Jump to: