Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50000121 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 A3
(Homo sapiens (Human)) | BDBM50240839
(CHEMBL4062581)Show SMILES COc1cccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)c1 Show InChI InChI=1S/C22H22N4O4/c1-29-16-5-3-4-15(10-16)13-25-20-19(21(27)26(22(25)28)12-14-6-7-14)24-9-8-17(30-2)11-18(24)23-20/h3-5,8-11,14H,6-7,12-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240839
(CHEMBL4062581)Show SMILES COc1cccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)c1 Show InChI InChI=1S/C22H22N4O4/c1-29-16-5-3-4-15(10-16)13-25-20-19(21(27)26(22(25)28)12-14-6-7-14)24-9-8-17(30-2)11-18(24)23-20/h3-5,8-11,14H,6-7,12-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240840
(CHEMBL4090548)Show SMILES CCc1ccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)cc1 Show InChI InChI=1S/C23H24N4O3/c1-3-15-4-6-16(7-5-15)13-26-21-20(22(28)27(23(26)29)14-17-8-9-17)25-11-10-18(30-2)12-19(25)24-21/h4-7,10-12,17H,3,8-9,13-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240840
(CHEMBL4090548)Show SMILES CCc1ccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)cc1 Show InChI InChI=1S/C23H24N4O3/c1-3-15-4-6-16(7-5-15)13-26-21-20(22(28)27(23(26)29)14-17-8-9-17)25-11-10-18(30-2)12-19(25)24-21/h4-7,10-12,17H,3,8-9,13-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
The compound was evaluated for the binding affinity towards dopamine receptor D2 at low affinity state. |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50397723
(CHEMBL2181964)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(C)cc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C22H22N4O3/c1-14-3-5-15(6-4-14)12-25-20-19(21(27)26(22(25)28)13-16-7-8-16)24-10-9-17(29-2)11-18(24)23-20/h3-6,9-11,16H,7-8,12-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240846
(CHEMBL4072249)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H20N4O3/c1-28-16-9-10-23-17(11-16)22-19-18(23)20(26)25(13-15-7-8-15)21(27)24(19)12-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240846
(CHEMBL4072249)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H20N4O3/c1-28-16-9-10-23-17(11-16)22-19-18(23)20(26)25(13-15-7-8-15)21(27)24(19)12-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50397723
(CHEMBL2181964)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(C)cc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C22H22N4O3/c1-14-3-5-15(6-4-14)12-25-20-19(21(27)26(22(25)28)13-16-7-8-16)24-10-9-17(29-2)11-18(24)23-20/h3-6,9-11,16H,7-8,12-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240831
(CHEMBL4068128)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(Cl)cc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H19ClN4O3/c1-29-16-8-9-24-17(10-16)23-19-18(24)20(27)26(12-13-2-3-13)21(28)25(19)11-14-4-6-15(22)7-5-14/h4-10,13H,2-3,11-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
The compound was evaluated for the binding affinity towards Dopamine receptor D2 at low affinity state. |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240836
(CHEMBL4059466)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(Br)cc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H19BrN4O3/c1-29-16-8-9-24-17(10-16)23-19-18(24)20(27)26(12-13-2-3-13)21(28)25(19)11-14-4-6-15(22)7-5-14/h4-10,13H,2-3,11-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240830
(CHEMBL4074587)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC(C)C)c(=O)c21 Show InChI InChI=1S/C21H22N4O3/c1-14(2)12-25-20(26)18-19(22-17-11-16(28-3)9-10-23(17)18)24(21(25)27)13-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240838
(CHEMBL4098263)Show SMILES COc1ccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)cc1 Show InChI InChI=1S/C22H22N4O4/c1-29-16-7-5-15(6-8-16)12-25-20-19(21(27)26(22(25)28)13-14-3-4-14)24-10-9-17(30-2)11-18(24)23-20/h5-11,14H,3-4,12-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240836
(CHEMBL4059466)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(Br)cc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H19BrN4O3/c1-29-16-8-9-24-17(10-16)23-19-18(24)20(27)26(12-13-2-3-13)21(28)25(19)11-14-4-6-15(22)7-5-14/h4-10,13H,2-3,11-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240830
(CHEMBL4074587)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC(C)C)c(=O)c21 Show InChI InChI=1S/C21H22N4O3/c1-14(2)12-25-20(26)18-19(22-17-11-16(28-3)9-10-23(17)18)24(21(25)27)13-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240831
(CHEMBL4068128)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(Cl)cc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H19ClN4O3/c1-29-16-8-9-24-17(10-16)23-19-18(24)20(27)26(12-13-2-3-13)21(28)25(19)11-14-4-6-15(22)7-5-14/h4-10,13H,2-3,11-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240832
(CHEMBL4087363)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CCC=C)c(=O)c21 Show InChI InChI=1S/C21H20N4O3/c1-3-4-11-24-20(26)18-19(22-17-13-16(28-2)10-12-23(17)18)25(21(24)27)14-15-8-6-5-7-9-15/h3,5-10,12-13H,1,4,11,14H2,2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
The compound was tested for binding activity against HIV-1 protease |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240832
(CHEMBL4087363)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CCC=C)c(=O)c21 Show InChI InChI=1S/C21H20N4O3/c1-3-4-11-24-20(26)18-19(22-17-13-16(28-2)10-12-23(17)18)25(21(24)27)14-15-8-6-5-7-9-15/h3,5-10,12-13H,1,4,11,14H2,2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240838
(CHEMBL4098263)Show SMILES COc1ccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)cc1 Show InChI InChI=1S/C22H22N4O4/c1-29-16-7-5-15(6-8-16)12-25-20-19(21(27)26(22(25)28)13-14-3-4-14)24-10-9-17(30-2)11-18(24)23-20/h5-11,14H,3-4,12-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
The compound was evaluated for the binding affinity towards Dopamine receptor D2 at high affinity state. |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240861
(CHEMBL4084043)Show SMILES CCCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C21H22N4O3/c1-3-4-11-24-20(26)18-19(22-17-13-16(28-2)10-12-23(17)18)25(21(24)27)14-15-8-6-5-7-9-15/h5-10,12-13H,3-4,11,14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240841
(CHEMBL4082732)Show SMILES COc1ccn2c(c1)nc1n(Cc3cccc(C)c3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C22H22N4O3/c1-14-4-3-5-16(10-14)13-25-20-19(21(27)26(22(25)28)12-15-6-7-15)24-9-8-17(29-2)11-18(24)23-20/h3-5,8-11,15H,6-7,12-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240841
(CHEMBL4082732)Show SMILES COc1ccn2c(c1)nc1n(Cc3cccc(C)c3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C22H22N4O3/c1-14-4-3-5-16(10-14)13-25-20-19(21(27)26(22(25)28)12-15-6-7-15)24-9-8-17(29-2)11-18(24)23-20/h3-5,8-11,15H,6-7,12-13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding activity against HIV-1 Protease |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240861
(CHEMBL4084043)Show SMILES CCCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C21H22N4O3/c1-3-4-11-24-20(26)18-19(22-17-13-16(28-2)10-12-23(17)18)25(21(24)27)14-15-8-6-5-7-9-15/h5-10,12-13H,3-4,11,14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at Dopamine receptor D1 |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240842
(CHEMBL4093013)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC3CCC3)c(=O)c21 Show InChI InChI=1S/C22H22N4O3/c1-29-17-10-11-24-18(12-17)23-20-19(24)21(27)26(14-16-8-5-9-16)22(28)25(20)13-15-6-3-2-4-7-15/h2-4,6-7,10-12,16H,5,8-9,13-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240867
(CHEMBL4085275)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(C[Si](C)(C)C)c(=O)c21 Show InChI InChI=1S/C21H24N4O3Si/c1-28-16-10-11-23-17(12-16)22-19-18(23)20(26)25(14-29(2,3)4)21(27)24(19)13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240867
(CHEMBL4085275)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(C[Si](C)(C)C)c(=O)c21 Show InChI InChI=1S/C21H24N4O3Si/c1-28-16-10-11-23-17(12-16)22-19-18(23)20(26)25(14-29(2,3)4)21(27)24(19)13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240842
(CHEMBL4093013)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC3CCC3)c(=O)c21 Show InChI InChI=1S/C22H22N4O3/c1-29-17-10-11-24-18(12-17)23-20-19(24)21(27)26(14-16-8-5-9-16)22(28)25(20)13-15-6-3-2-4-7-15/h2-4,6-7,10-12,16H,5,8-9,13-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240859
(CHEMBL4068676)Show SMILES CCCCCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C23H26N4O3/c1-3-4-5-9-13-26-22(28)20-21(24-19-15-18(30-2)12-14-25(19)20)27(23(26)29)16-17-10-7-6-8-11-17/h6-8,10-12,14-15H,3-5,9,13,16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240859
(CHEMBL4068676)Show SMILES CCCCCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C23H26N4O3/c1-3-4-5-9-13-26-22(28)20-21(24-19-15-18(30-2)12-14-25(19)20)27(23(26)29)16-17-10-7-6-8-11-17/h6-8,10-12,14-15H,3-5,9,13,16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240860
(CHEMBL4102026)Show SMILES CCCCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C22H24N4O3/c1-3-4-8-12-25-21(27)19-20(23-18-14-17(29-2)11-13-24(18)19)26(22(25)28)15-16-9-6-5-7-10-16/h5-7,9-11,13-14H,3-4,8,12,15H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240853
(CHEMBL4084856)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CCC(C)C)c(=O)c21 Show InChI InChI=1S/C22H24N4O3/c1-15(2)9-11-25-21(27)19-20(23-18-13-17(29-3)10-12-24(18)19)26(22(25)28)14-16-7-5-4-6-8-16/h4-8,10,12-13,15H,9,11,14H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding activity against HIV-1 Protease |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50116368
(1-Benzyl-7-methoxy-3-propyl-1H-1,3,4b,9-tetraaza-f...)Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C20H20N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50116368
(1-Benzyl-7-methoxy-3-propyl-1H-1,3,4b,9-tetraaza-f...)Show SMILES CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C20H20N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240854
(CHEMBL4102809)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC(C)(C)C)c(=O)c21 Show InChI InChI=1S/C22H24N4O3/c1-22(2,3)14-26-20(27)18-19(23-17-12-16(29-4)10-11-24(17)18)25(21(26)28)13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240853
(CHEMBL4084856)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CCC(C)C)c(=O)c21 Show InChI InChI=1S/C22H24N4O3/c1-15(2)9-11-25-21(27)19-20(23-18-13-17(29-3)10-12-24(18)19)26(22(25)28)14-16-7-5-4-6-8-16/h4-8,10,12-13,15H,9,11,14H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240860
(CHEMBL4102026)Show SMILES CCCCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C22H24N4O3/c1-3-4-8-12-25-21(27)19-20(23-18-14-17(29-2)11-13-24(18)19)26(22(25)28)15-16-9-6-5-7-10-16/h5-7,9-11,13-14H,3-4,8,12,15H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240854
(CHEMBL4102809)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC(C)(C)C)c(=O)c21 Show InChI InChI=1S/C22H24N4O3/c1-22(2,3)14-26-20(27)18-19(23-17-12-16(29-4)10-11-24(17)18)25(21(26)28)13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240857
(CHEMBL4103734)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC#C)c(=O)c21 Show InChI InChI=1S/C20H16N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h1,4-9,11-12H,10,13H2,2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240857
(CHEMBL4103734)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC#C)c(=O)c21 Show InChI InChI=1S/C20H16N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h1,4-9,11-12H,10,13H2,2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240869
(CHEMBL4071229)Show SMILES COc1ccn2c(c1)nc1n(Cc3cccc(Cl)c3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H19ClN4O3/c1-29-16-7-8-24-17(10-16)23-19-18(24)20(27)26(11-13-5-6-13)21(28)25(19)12-14-3-2-4-15(22)9-14/h2-4,7-10,13H,5-6,11-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240837
(CHEMBL4095515)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(Cl)c(Cl)c3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H18Cl2N4O3/c1-30-14-6-7-25-17(9-14)24-19-18(25)20(28)27(10-12-2-3-12)21(29)26(19)11-13-4-5-15(22)16(23)8-13/h4-9,12H,2-3,10-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240869
(CHEMBL4071229)Show SMILES COc1ccn2c(c1)nc1n(Cc3cccc(Cl)c3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H19ClN4O3/c1-29-16-7-8-24-17(10-16)23-19-18(24)20(27)26(11-13-5-6-13)21(28)25(19)12-14-3-2-4-15(22)9-14/h2-4,7-10,13H,5-6,11-12H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240837
(CHEMBL4095515)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccc(Cl)c(Cl)c3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C21H18Cl2N4O3/c1-30-14-6-7-25-17(9-14)24-19-18(25)20(28)27(10-12-2-3-12)21(29)26(19)11-13-4-5-15(22)16(23)8-13/h4-9,12H,2-3,10-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
The compound was evaluated for the binding affinity towards dopamine receptor D2 at low affinity state. |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240864
(CHEMBL4079486)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC=C)c(=O)c21 Show InChI InChI=1S/C20H18N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h3-9,11-12H,1,10,13H2,2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240864
(CHEMBL4079486)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC=C)c(=O)c21 Show InChI InChI=1S/C20H18N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h3-9,11-12H,1,10,13H2,2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240858
(CHEMBL4095990)Show SMILES CCCCCCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C24H28N4O3/c1-3-4-5-6-10-14-27-23(29)21-22(25-20-16-19(31-2)13-15-26(20)21)28(24(27)30)17-18-11-8-7-9-12-18/h7-9,11-13,15-16H,3-6,10,14,17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
The compound was evaluated for the binding affinity towards dopamine receptor D2 at high affinity state. |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240858
(CHEMBL4095990)Show SMILES CCCCCCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O Show InChI InChI=1S/C24H28N4O3/c1-3-4-5-6-10-14-27-23(29)21-22(25-20-16-19(31-2)13-15-26(20)21)28(24(27)30)17-18-11-8-7-9-12-18/h7-9,11-13,15-16H,3-6,10,14,17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240835
(CHEMBL4087808)Show SMILES COc1ccn2c(c1)nc1n(CCc3ccccc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C22H22N4O3/c1-29-17-10-12-24-18(13-17)23-20-19(24)21(27)26(14-16-7-8-16)22(28)25(20)11-9-15-5-3-2-4-6-15/h2-6,10,12-13,16H,7-9,11,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240835
(CHEMBL4087808)Show SMILES COc1ccn2c(c1)nc1n(CCc3ccccc3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C22H22N4O3/c1-29-17-10-12-24-18(13-17)23-20-19(24)21(27)26(14-16-7-8-16)22(28)25(20)11-9-15-5-3-2-4-6-15/h2-6,10,12-13,16H,7-9,11,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240852
(CHEMBL4063652)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CCC(C)(C)C)c(=O)c21 Show InChI InChI=1S/C23H26N4O3/c1-23(2,3)11-13-26-21(28)19-20(24-18-14-17(30-4)10-12-25(18)19)27(22(26)29)15-16-8-6-5-7-9-16/h5-10,12,14H,11,13,15H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Binding activity against HIV-1 Protease |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50240852
(CHEMBL4063652)Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CCC(C)(C)C)c(=O)c21 Show InChI InChI=1S/C23H26N4O3/c1-23(2,3)11-13-26-21(28)19-20(24-18-14-17(30-4)10-12-25(18)19)27(22(26)29)15-16-8-6-5-7-9-16/h5-10,12,14H,11,13,15H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden University
Curated by ChEMBL
| Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry |
J Med Chem 60: 7555-7568 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06 |
More data for this
Ligand-Target Pair | |
Search and Browse
