Found 15 hits of Enzyme Inhibition Constant Data 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)) | BDBM50187669
(CHEMBL207208 | N-(4-methoxy-phenyl)-2-cyclopentyl-...)Show SMILES COc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1 Show InChI InChI=1S/C22H22N4O/c1-27-16-12-10-15(11-13-16)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)14-6-2-3-7-14/h4-5,8-14H,2-3,6-7H2,1H3,(H,23,24)(H,25,26) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 410 | 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 [125I]I-AB-MECA from human adenosine A3 receptor in CHO membrane |
J Med Chem 49: 3354-61 (2006)
Article DOI: 10.1021/jm060086s
BindingDB Entry DOI: 10.7270/Q2K073V0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50011596
((2-Cyclopentyl-1H-imidazo[4,5-c]quinolin-4-yl)-phe...)Show SMILES C1CCC(C1)c1nc2c([nH]1)c(Nc1ccccc1)nc1ccccc21 Show InChI InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 786 | 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 [125I]I-AB-MECA from human adenosine A3 receptor in CHO membrane |
J Med Chem 49: 3354-61 (2006)
Article DOI: 10.1021/jm060086s
BindingDB Entry DOI: 10.7270/Q2K073V0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50187670
(CHEMBL210380 | N-(4-methyl-phenyl)-2-cyclopentyl-1...)Show SMILES Cc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1 Show InChI InChI=1S/C22H22N4/c1-14-10-12-16(13-11-14)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,23,24)(H,25,26) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.19E+3 | 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 [125I]I-AB-MECA from human adenosine A3 receptor in CHO membrane |
J Med Chem 49: 3354-61 (2006)
Article DOI: 10.1021/jm060086s
BindingDB Entry DOI: 10.7270/Q2K073V0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50187671
(CHEMBL378047 | N-(4-chloro-phenyl)-2-cyclopentyl-1...)Show SMILES Clc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1 Show InChI InChI=1S/C21H19ClN4/c22-14-9-11-15(12-10-14)23-21-19-18(16-7-3-4-8-17(16)24-21)25-20(26-19)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2,(H,23,24)(H,25,26) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.61E+3 | 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 [125I]I-AB-MECA from human adenosine A3 receptor in CHO membrane |
J Med Chem 49: 3354-61 (2006)
Article DOI: 10.1021/jm060086s
BindingDB Entry DOI: 10.7270/Q2K073V0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50011596
((2-Cyclopentyl-1H-imidazo[4,5-c]quinolin-4-yl)-phe...)Show SMILES C1CCC(C1)c1nc2c([nH]1)c(Nc1ccccc1)nc1ccccc21 Show InChI InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.15E+3 | 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]R-PIA from human adenosine A2A receptor in HEK293 cells |
J Med Chem 49: 3354-61 (2006)
Article DOI: 10.1021/jm060086s
BindingDB Entry DOI: 10.7270/Q2K073V0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50011596
((2-Cyclopentyl-1H-imidazo[4,5-c]quinolin-4-yl)-phe...)Show SMILES C1CCC(C1)c1nc2c([nH]1)c(Nc1ccccc1)nc1ccccc21 Show InChI InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.42E+3 | 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]R-PIA from human adenosine A1 receptor in CHO membrane |
J Med Chem 49: 3354-61 (2006)
Article DOI: 10.1021/jm060086s
BindingDB Entry DOI: 10.7270/Q2K073V0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50187670
(CHEMBL210380 | N-(4-methyl-phenyl)-2-cyclopentyl-1...)Show SMILES Cc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1 Show InChI InChI=1S/C22H22N4/c1-14-10-12-16(13-11-14)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,23,24)(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.85E+3 | 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]R-PIA from human adenosine A1 receptor in CHO membrane |
J Med Chem 49: 3354-61 (2006)
Article DOI: 10.1021/jm060086s
BindingDB Entry DOI: 10.7270/Q2K073V0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50187669
(CHEMBL207208 | N-(4-methoxy-phenyl)-2-cyclopentyl-...)Show SMILES COc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1 Show InChI InChI=1S/C22H22N4O/c1-27-16-12-10-15(11-13-16)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)14-6-2-3-7-14/h4-5,8-14H,2-3,6-7H2,1H3,(H,23,24)(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.17E+3 | 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]R-PIA from human adenosine A1 receptor in CHO membrane |
J Med Chem 49: 3354-61 (2006)
Article DOI: 10.1021/jm060086s
BindingDB Entry DOI: 10.7270/Q2K073V0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50187672
(CHEMBL207209 | N-(3,4-dichloro-phenyl)-2-cyclopent...)Show SMILES Clc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1Cl Show InChI InChI=1S/C21H18Cl2N4/c22-15-10-9-13(11-16(15)23)24-21-19-18(14-7-3-4-8-17(14)25-21)26-20(27-19)12-5-1-2-6-12/h3-4,7-12H,1-2,5-6H2,(H,24,25)(H,26,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.69E+3 | 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 [125I]I-AB-MECA from human adenosine A3 receptor in CHO membrane |
J Med Chem 49: 3354-61 (2006)
Article DOI: 10.1021/jm060086s
BindingDB Entry DOI: 10.7270/Q2K073V0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50187670
(CHEMBL210380 | N-(4-methyl-phenyl)-2-cyclopentyl-1...)Show SMILES Cc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1 Show InChI InChI=1S/C22H22N4/c1-14-10-12-16(13-11-14)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,23,24)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.22E+3 | 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]R-PIA from human adenosine A2A receptor in HEK293 cells |
J Med Chem 49: 3354-61 (2006)
Article DOI: 10.1021/jm060086s
BindingDB Entry DOI: 10.7270/Q2K073V0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50187672
(CHEMBL207209 | N-(3,4-dichloro-phenyl)-2-cyclopent...)Show SMILES Clc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1Cl Show InChI InChI=1S/C21H18Cl2N4/c22-15-10-9-13(11-16(15)23)24-21-19-18(14-7-3-4-8-17(14)25-21)26-20(27-19)12-5-1-2-6-12/h3-4,7-12H,1-2,5-6H2,(H,24,25)(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+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]R-PIA from human adenosine A2A receptor in HEK293 cells |
J Med Chem 49: 3354-61 (2006)
Article DOI: 10.1021/jm060086s
BindingDB Entry DOI: 10.7270/Q2K073V0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50187671
(CHEMBL378047 | N-(4-chloro-phenyl)-2-cyclopentyl-1...)Show SMILES Clc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1 Show InChI InChI=1S/C21H19ClN4/c22-14-9-11-15(12-10-14)23-21-19-18(16-7-3-4-8-17(16)24-21)25-20(26-19)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2,(H,23,24)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+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]R-PIA from human adenosine A2A receptor in HEK293 cells |
J Med Chem 49: 3354-61 (2006)
Article DOI: 10.1021/jm060086s
BindingDB Entry DOI: 10.7270/Q2K073V0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50187671
(CHEMBL378047 | N-(4-chloro-phenyl)-2-cyclopentyl-1...)Show SMILES Clc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1 Show InChI InChI=1S/C21H19ClN4/c22-14-9-11-15(12-10-14)23-21-19-18(16-7-3-4-8-17(16)24-21)25-20(26-19)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2,(H,23,24)(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+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]R-PIA from human adenosine A1 receptor in CHO membrane |
J Med Chem 49: 3354-61 (2006)
Article DOI: 10.1021/jm060086s
BindingDB Entry DOI: 10.7270/Q2K073V0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50187672
(CHEMBL207209 | N-(3,4-dichloro-phenyl)-2-cyclopent...)Show SMILES Clc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1Cl Show InChI InChI=1S/C21H18Cl2N4/c22-15-10-9-13(11-16(15)23)24-21-19-18(14-7-3-4-8-17(14)25-21)26-20(27-19)12-5-1-2-6-12/h3-4,7-12H,1-2,5-6H2,(H,24,25)(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+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]R-PIA from human adenosine A1 receptor in CHO membrane |
J Med Chem 49: 3354-61 (2006)
Article DOI: 10.1021/jm060086s
BindingDB Entry DOI: 10.7270/Q2K073V0 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50187669
(CHEMBL207208 | N-(4-methoxy-phenyl)-2-cyclopentyl-...)Show SMILES COc1ccc(Nc2nc3ccccc3c3nc([nH]c23)C2CCCC2)cc1 Show InChI InChI=1S/C22H22N4O/c1-27-16-12-10-15(11-13-16)23-22-20-19(17-8-4-5-9-18(17)24-22)25-21(26-20)14-6-2-3-7-14/h4-5,8-14H,2-3,6-7H2,1H3,(H,23,24)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+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]R-PIA from human adenosine A2A receptor in HEK293 cells |
J Med Chem 49: 3354-61 (2006)
Article DOI: 10.1021/jm060086s
BindingDB Entry DOI: 10.7270/Q2K073V0 |
More data for this
Ligand-Target Pair | |
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