Found 450 hits with Last Name = 'graziano' and Initial = 'a' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50094037
(2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...)Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >0.0480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2a receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50039951
(2-(4-Methoxy-phenyl)-5H-[1,2,4]triazolo[1,5-a]quin...)Show InChI InChI=1S/C16H12N4O2/c1-22-11-8-6-10(7-9-11)14-18-15-16(21)17-12-4-2-3-5-13(12)20(15)19-14/h2-9H,1H3,(H,17,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A3 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
UniProtKB/SwissProt
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| Purchase
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MCE
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method |
J Med Chem 60: 9531-9544 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00791
BindingDB Entry DOI: 10.7270/Q2NS0X9N |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50243681
(CHEMBL4069507)Show SMILES [O-][N+](=O)c1ccc(NCCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C23H28F3N3O2/c24-23(25,26)21-17-20(8-9-22(21)29(30)31)27-12-4-5-13-28-14-10-19(11-15-28)16-18-6-2-1-3-7-18/h1-3,6-9,17,19,27H,4-5,10-16H2 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method |
J Med Chem 60: 9531-9544 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00791
BindingDB Entry DOI: 10.7270/Q2NS0X9N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330632
(3-Benzyl-9-phenyl-1-pyridin-4-yl-pyrazolo[1',5':1,...)Show SMILES O=c1n(Cc2ccccc2)nc(-c2ccncc2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-15-21(29-32(22)17-28-25)19-9-5-2-6-10-19)24(20-11-13-27-14-12-20)30-31(26)16-18-7-3-1-4-8-18/h1-15,17H,16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330631
(3-Benzyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,...)Show SMILES O=c1n(Cc2ccccc2)nc(-c2cccnc2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-14-21(29-32(22)17-28-25)19-10-5-2-6-11-19)24(20-12-7-13-27-15-20)30-31(26)16-18-8-3-1-4-9-18/h1-15,17H,16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50243653
(CHEMBL4104454)Show SMILES COc1cc2CCN(CCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC Show InChI InChI=1S/C21H24F3N3O4/c1-30-19-10-14-6-9-26(13-15(14)11-20(19)31-2)8-3-7-25-16-4-5-18(27(28)29)17(12-16)21(22,23)24/h4-5,10-12,25H,3,6-9,13H2,1-2H3 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Inhibition of [3H]mazindol binding to the dopamine transporter. |
J Med Chem 60: 9531-9544 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00791
BindingDB Entry DOI: 10.7270/Q2NS0X9N |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | UniProtKB/SwissProt
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PC sid
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| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method |
J Med Chem 60: 9531-9544 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00791
BindingDB Entry DOI: 10.7270/Q2NS0X9N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(BOVINE) | BDBM50102282
(3,10-Diphenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]t...)Show SMILES O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccccc1 Show InChI InChI=1S/C21H14N4O/c26-20-19(15-9-3-1-4-10-15)22-23-21-24(16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(20)21/h1-14H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50243681
(CHEMBL4069507)Show SMILES [O-][N+](=O)c1ccc(NCCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C23H28F3N3O2/c24-23(25,26)21-17-20(8-9-22(21)29(30)31)27-12-4-5-13-28-14-10-19(11-15-28)16-18-6-2-1-3-7-18/h1-3,6-9,17,19,27H,4-5,10-16H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method |
J Med Chem 60: 9531-9544 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00791
BindingDB Entry DOI: 10.7270/Q2NS0X9N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50133368
(CHEMBL335950 | N-(2-(furan-2-yl)-8-(3-phenylpropyl...)Show SMILES O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C31H25N7O2/c39-27(19-23-14-6-13-22-12-4-5-15-24(22)23)32-31-34-28-25(30-33-29(36-38(30)31)26-16-8-18-40-26)20-37(35-28)17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18,20H,7,11,17,19H2,(H,32,34,35,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2b receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50243667
(CHEMBL4089029)Show SMILES [O-][N+](=O)c1ccc(NCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C22H26F3N3O2/c23-22(24,25)20-16-19(7-8-21(20)28(29)30)26-11-4-12-27-13-9-18(10-14-27)15-17-5-2-1-3-6-17/h1-3,5-8,16,18,26H,4,9-15H2 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method |
J Med Chem 60: 9531-9544 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00791
BindingDB Entry DOI: 10.7270/Q2NS0X9N |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50243683
(CHEMBL4084057)Show SMILES COc1cc2CCN(CCCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC Show InChI InChI=1S/C22H26F3N3O4/c1-31-20-11-15-7-10-27(14-16(15)12-21(20)32-2)9-4-3-8-26-17-5-6-19(28(29)30)18(13-17)22(23,24)25/h5-6,11-13,26H,3-4,7-10,14H2,1-2H3 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method |
J Med Chem 60: 9531-9544 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00791
BindingDB Entry DOI: 10.7270/Q2NS0X9N |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50243684
(CHEMBL4096734)Show SMILES [O-][N+](=O)c1ccc(NCCCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C24H30F3N3O2/c25-24(26,27)22-18-21(9-10-23(22)30(31)32)28-13-5-2-6-14-29-15-11-20(12-16-29)17-19-7-3-1-4-8-19/h1,3-4,7-10,18,20,28H,2,5-6,11-17H2 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method |
J Med Chem 60: 9531-9544 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00791
BindingDB Entry DOI: 10.7270/Q2NS0X9N |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50243652
(CHEMBL4079680)Show SMILES COc1cc2CCN(CCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC Show InChI InChI=1S/C20H22F3N3O4/c1-29-18-9-13-5-7-25(12-14(13)10-19(18)30-2)8-6-24-15-3-4-17(26(27)28)16(11-15)20(21,22)23/h3-4,9-11,24H,5-8,12H2,1-2H3 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method |
J Med Chem 60: 9531-9544 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00791
BindingDB Entry DOI: 10.7270/Q2NS0X9N |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50243682
(CHEMBL4102036)Show SMILES COc1cc2CCN(CCCCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC Show InChI InChI=1S/C23H28F3N3O4/c1-32-21-12-16-8-11-28(15-17(16)13-22(21)33-2)10-5-3-4-9-27-18-6-7-20(29(30)31)19(14-18)23(24,25)26/h6-7,12-14,27H,3-5,8-11,15H2,1-2H3 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method |
J Med Chem 60: 9531-9544 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00791
BindingDB Entry DOI: 10.7270/Q2NS0X9N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330628
(3-Benzyl-9-phenyl-6-n-propyl-1-pyridin-4-yl-pyrazo...)Show SMILES CCCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C29H24N6O/c1-2-9-25-31-28-26(24-18-23(32-35(24)25)21-12-7-4-8-13-21)27(22-14-16-30-17-15-22)33-34(29(28)36)19-20-10-5-3-6-11-20/h3-8,10-18H,2,9,19H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50243683
(CHEMBL4084057)Show SMILES COc1cc2CCN(CCCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC Show InChI InChI=1S/C22H26F3N3O4/c1-31-20-11-15-7-10-27(14-16(15)12-21(20)32-2)9-4-3-8-26-17-5-6-19(28(29)30)18(13-17)22(23,24)25/h5-6,11-13,26H,3-4,7-10,14H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter. |
J Med Chem 60: 9531-9544 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00791
BindingDB Entry DOI: 10.7270/Q2NS0X9N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50243682
(CHEMBL4102036)Show SMILES COc1cc2CCN(CCCCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC Show InChI InChI=1S/C23H28F3N3O4/c1-32-21-12-16-8-11-28(15-17(16)13-22(21)33-2)10-5-3-4-9-27-18-6-7-20(29(30)31)19(14-18)23(24,25)26/h6-7,12-14,27H,3-5,8-11,15H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method |
J Med Chem 60: 9531-9544 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00791
BindingDB Entry DOI: 10.7270/Q2NS0X9N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50243684
(CHEMBL4096734)Show SMILES [O-][N+](=O)c1ccc(NCCCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C24H30F3N3O2/c25-24(26,27)22-18-21(9-10-23(22)30(31)32)28-13-5-2-6-14-29-15-11-20(12-16-29)17-19-7-3-1-4-8-19/h1,3-4,7-10,18,20,28H,2,5-6,11-17H2 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method |
J Med Chem 60: 9531-9544 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00791
BindingDB Entry DOI: 10.7270/Q2NS0X9N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50243654
(CHEMBL4060828)Show SMILES [O-][N+](=O)c1ccc(NCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C21H24F3N3O2/c22-21(23,24)19-15-18(6-7-20(19)27(28)29)25-10-13-26-11-8-17(9-12-26)14-16-4-2-1-3-5-16/h1-7,15,17,25H,8-14H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method |
J Med Chem 60: 9531-9544 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00791
BindingDB Entry DOI: 10.7270/Q2NS0X9N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50243667
(CHEMBL4089029)Show SMILES [O-][N+](=O)c1ccc(NCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C22H26F3N3O2/c23-22(24,25)20-16-19(7-8-21(20)28(29)30)26-11-4-12-27-13-9-18(10-14-27)15-17-5-2-1-3-6-17/h1-3,5-8,16,18,26H,4,9-15H2 | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method |
J Med Chem 60: 9531-9544 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00791
BindingDB Entry DOI: 10.7270/Q2NS0X9N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330630
(3-Benzyl-6-methyl-9-phenyl-1-pyridin-4-yl-pyrazolo...)Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C27H20N6O/c1-18-29-26-24(23-16-22(30-33(18)23)20-10-6-3-7-11-20)25(21-12-14-28-15-13-21)31-32(27(26)34)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330626
(3-Benzyl-6-methyl-9-phenyl-1-pyridin-3-yl-pyrazolo...)Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccnc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C27H20N6O/c1-18-29-26-24(23-15-22(30-33(18)23)20-11-6-3-7-12-20)25(21-13-8-14-28-16-21)31-32(27(26)34)17-19-9-4-2-5-10-19/h2-16H,17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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PC sid
UniChem
Similars
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PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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CHEMBL
KEGG
PC cid
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UniChem
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| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A2b receptor expressed in HEK293 cells after 30 mins |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50330632
(3-Benzyl-9-phenyl-1-pyridin-4-yl-pyrazolo[1',5':1,...)Show SMILES O=c1n(Cc2ccccc2)nc(-c2ccncc2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-15-21(29-32(22)17-28-25)19-9-5-2-6-10-19)24(20-11-13-27-14-12-20)30-31(26)16-18-7-3-1-4-8-18/h1-15,17H,16H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2a receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330629
(3-Benzyl-6-ethyl-9-phenyl-1-pyridin-4-yl-pyrazolo[...)Show SMILES CCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C28H22N6O/c1-2-24-30-27-25(23-17-22(31-34(23)24)20-11-7-4-8-12-20)26(21-13-15-29-16-14-21)32-33(28(27)35)18-19-9-5-3-6-10-19/h3-17H,2,18H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50243654
(CHEMBL4060828)Show SMILES [O-][N+](=O)c1ccc(NCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C21H24F3N3O2/c22-21(23,24)19-15-18(6-7-20(19)27(28)29)25-10-13-26-11-8-17(9-12-26)14-16-4-2-1-3-5-16/h1-7,15,17,25H,8-14H2 | UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method |
J Med Chem 60: 9531-9544 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00791
BindingDB Entry DOI: 10.7270/Q2NS0X9N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330623
(3-Benzyl-1-methyl-9-thiophen-3-yl-pyrazolo[1',5':1...)Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1 Show InChI InChI=1S/C20H15N5OS/c1-13-18-17-9-16(15-7-8-27-11-15)23-25(17)12-21-19(18)20(26)24(22-13)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330638
(3-Benzyl-1-(3-fluorophenyl)-9-phenylpyrazolo[1',5'...)Show SMILES Fc1cccc(c1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1 Show InChI InChI=1S/C27H18FN5O/c28-21-13-7-12-20(14-21)25-24-23-15-22(19-10-5-2-6-11-19)30-33(23)17-29-26(24)27(34)32(31-25)16-18-8-3-1-4-9-18/h1-15,17H,16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50193584
(3-benzyl-1-methyl-9-phenylpyrazolo[1',5':1,6]pyrim...)Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1 Show InChI InChI=1S/C22H17N5O/c1-15-20-19-12-18(17-10-6-3-7-11-17)25-27(19)14-23-21(20)22(28)26(24-15)13-16-8-4-2-5-9-16/h2-12,14H,13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330639
(3-Benzyl-1-(4-fluorophenyl)-9-thiophen-3-yl-pyrazo...)Show SMILES Fc1ccc(cc1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1 Show InChI InChI=1S/C25H16FN5OS/c26-19-8-6-17(7-9-19)23-22-21-12-20(18-10-11-33-14-18)28-31(21)15-27-24(22)25(32)30(29-23)13-16-4-2-1-3-5-16/h1-12,14-15H,13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 123 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330625
(3-Benzyl-6-ethyl-9-phenyl-1-pyridin-3-yl-pyrazolo[...)Show SMILES CCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccnc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C28H22N6O/c1-2-24-30-27-25(23-16-22(31-34(23)24)20-12-7-4-8-13-20)26(21-14-9-15-29-17-21)32-33(28(27)35)18-19-10-5-3-6-11-19/h3-17H,2,18H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330637
(3-Benzyl-1-(3-fluorophenyl)-9-thiophen-3-yl-pyrazo...)Show SMILES Fc1cccc(c1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccsc1 Show InChI InChI=1S/C25H16FN5OS/c26-19-8-4-7-17(11-19)23-22-21-12-20(18-9-10-33-14-18)28-31(21)15-27-24(22)25(32)30(29-23)13-16-5-2-1-3-6-16/h1-12,14-15H,13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 189 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330627
(3-Benzyl-6-isopropyl-9-phenyl-1-pyridin-4-yl-pyraz...)Show SMILES CC(C)c1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C29H24N6O/c1-19(2)28-31-27-25(24-17-23(32-35(24)28)21-11-7-4-8-12-21)26(22-13-15-30-16-14-22)33-34(29(27)36)18-20-9-5-3-6-10-20/h3-17,19H,18H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 192 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50243653
(CHEMBL4104454)Show SMILES COc1cc2CCN(CCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC Show InChI InChI=1S/C21H24F3N3O4/c1-30-19-10-14-6-9-26(13-15(14)11-20(19)31-2)8-3-7-25-16-4-5-18(27(28)29)17(12-16)21(22,23)24/h4-5,10-12,25H,3,6-9,13H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 212 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Catania
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter. |
J Med Chem 60: 9531-9544 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00791
BindingDB Entry DOI: 10.7270/Q2NS0X9N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330640
(3-Benzyl-1-(4-fluorophenyl)-9-phenylpyrazolo[1',5'...)Show SMILES Fc1ccc(cc1)-c1nn(Cc2ccccc2)c(=O)c2ncn3nc(cc3c12)-c1ccccc1 Show InChI InChI=1S/C27H18FN5O/c28-21-13-11-20(12-14-21)25-24-23-15-22(19-9-5-2-6-10-19)30-33(23)17-29-26(24)27(34)32(31-25)16-18-7-3-1-4-8-18/h1-15,17H,16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 252 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2a receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330624
(3-Benzyl-6-methyl-9-phenyl-1-pyridin-4-ylpyrazolo[...)Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=S)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C27H20N6S/c1-18-29-26-24(23-16-22(30-33(18)23)20-10-6-3-7-11-20)25(21-12-14-28-15-13-21)31-32(27(26)34)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 267 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Bos taurus) | BDBM50133368
(CHEMBL335950 | N-(2-(furan-2-yl)-8-(3-phenylpropyl...)Show SMILES O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C31H25N7O2/c39-27(19-23-14-6-13-22-12-4-5-15-24(22)23)32-31-34-28-25(30-33-29(36-38(30)31)26-16-8-18-40-26)20-37(35-28)17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18,20H,7,11,17,19H2,(H,32,34,35,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A3 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330622
(1-Methyl-9-phenyl-3-(1-phenylethyl)pyrazolo[1',5':...)Show SMILES CC(c1ccccc1)n1nc(C)c2c3cc(nn3cnc2c1=O)-c1ccccc1 Show InChI InChI=1S/C23H19N5O/c1-15-21-20-13-19(18-11-7-4-8-12-18)26-27(20)14-24-22(21)23(29)28(25-15)16(2)17-9-5-3-6-10-17/h3-14,16H,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 475 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50330630
(3-Benzyl-6-methyl-9-phenyl-1-pyridin-4-yl-pyrazolo...)Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C27H20N6O/c1-18-29-26-24(23-16-22(30-33(18)23)20-10-6-3-7-11-20)25(21-12-14-28-15-13-21)31-32(27(26)34)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2a receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50330634
(3-Benzyl-1,9-diphenyl-6-n-propylpyrazolo[1',5':1,6...)Show SMILES CCCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccccc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C30H25N5O/c1-2-12-26-31-29-27(25-19-24(32-35(25)26)22-15-8-4-9-16-22)28(23-17-10-5-11-18-23)33-34(30(29)36)20-21-13-6-3-7-14-21/h3-11,13-19H,2,12,20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 564 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A1 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50330624
(3-Benzyl-6-methyl-9-phenyl-1-pyridin-4-ylpyrazolo[...)Show SMILES Cc1nc2c(c(nn(Cc3ccccc3)c2=S)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C27H20N6S/c1-18-29-26-24(23-16-22(30-33(18)23)20-10-6-3-7-11-20)25(21-12-14-28-15-13-21)31-32(27(26)34)17-19-8-4-2-5-9-19/h2-16H,17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 572 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2a receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50330628
(3-Benzyl-9-phenyl-6-n-propyl-1-pyridin-4-yl-pyrazo...)Show SMILES CCCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1 Show InChI InChI=1S/C29H24N6O/c1-2-9-25-31-28-26(24-18-23(32-35(24)25)21-12-7-4-8-13-21)27(22-14-16-30-17-15-22)33-34(29(28)36)19-20-10-5-3-6-11-20/h3-8,10-18H,2,9,19H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 773 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2a receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50330631
(3-Benzyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,...)Show SMILES O=c1n(Cc2ccccc2)nc(-c2cccnc2)c2c3cc(nn3cnc12)-c1ccccc1 Show InChI InChI=1S/C26H18N6O/c33-26-25-23(22-14-21(29-32(22)17-28-25)19-10-5-2-6-11-19)24(20-12-7-13-27-15-20)30-31(26)16-18-8-3-1-4-9-18/h1-15,17H,16H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 805 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to human adenosine A2a receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]
(Rattus norvegicus (rat)) | BDBM50201046
(5-{3-[4-(3-chlorophenyl)hexahydro-1-pyrazinyl]prop...)Show SMILES Cc1noc2c(nn(CCCN3CCN(CC3)c3cccc(Cl)c3)c(=O)c12)-c1ccccc1 Show InChI InChI=1S/C25H26ClN5O2/c1-18-22-24(33-28-18)23(19-7-3-2-4-8-19)27-31(25(22)32)12-6-11-29-13-15-30(16-14-29)21-10-5-9-20(26)17-21/h2-5,7-10,17H,6,11-16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha2A receptor in Sprague-Dawley rat cortical membranes |
J Med Chem 49: 7826-35 (2006)
Article DOI: 10.1021/jm060743g
BindingDB Entry DOI: 10.7270/Q29K49W5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Bos taurus) | BDBM50102282
(3,10-Diphenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]t...)Show SMILES O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccccc1 Show InChI InChI=1S/C21H14N4O/c26-20-19(15-9-3-1-4-10-15)22-23-21-24(16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(20)21/h1-14H | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche
Curated by ChEMBL
| Assay Description
Binding affinity to bovine adenosine A3 receptor |
Bioorg Med Chem 18: 7890-9 (2010)
Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50232100
(CHEMBL4061225)Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2ccc(OCCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C32H25FN2O4S/c33-26-12-14-27(15-13-26)34-32-35(21-24-6-10-25(11-7-24)31(37)38)30(36)29(40-32)20-23-8-16-28(17-9-23)39-19-18-22-4-2-1-3-5-22/h1-17,20H,18-19,21H2,(H,37,38)/b29-20-,34-32- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina
Curated by ChEMBL
| Assay Description
Mixed non-competitive inhibition of full length recombinant human PTP1B assessed as enzyme-substrate-inhibitor complex using pNPP as substrate by dou... |
Eur J Med Chem 127: 840-858 (2017)
Article DOI: 10.1016/j.ejmech.2016.10.063
BindingDB Entry DOI: 10.7270/Q21J9D18 |
More data for this
Ligand-Target Pair | |
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