Found 3 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 A1
(Homo sapiens (Human)) | BDBM50450457
(CHEMBL2364570)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CC4CC3C3OC43)ncnc12 |r,THB:14:15:20.22:18,21:20:18:15.16,21:22:18:15.16| Show InChI InChI=1S/C17H21N5O5/c23-3-9-11(24)12(25)17(26-9)22-5-20-10-15(18-4-19-16(10)22)21-8-2-6-1-7(8)14-13(6)27-14/h4-9,11-14,17,23-25H,1-3H2,(H,18,19,21)/t6?,7?,8-,9+,11+,12+,13?,14?,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 0.810 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the Adenosine A1 receptor agonist potency. |
Bioorg Med Chem Lett 6: 811-814 (1996)
Article DOI: 10.1016/0960-894X(96)00111-4
BindingDB Entry DOI: 10.7270/Q2ZK5H5H |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50450456
(CHEMBL2364571)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CC4CC3C3OC43)ncnc12 |r,THB:14:15:20.22:18,21:20:18:15.16,21:22:18:15.16| Show InChI InChI=1S/C17H21N5O5/c23-3-9-11(24)12(25)17(26-9)22-5-20-10-15(18-4-19-16(10)22)21-8-2-6-1-7(8)14-13(6)27-14/h4-9,11-14,17,23-25H,1-3H2,(H,18,19,21)/t6?,7?,8-,9-,11-,12-,13?,14?,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the Adenosine A1 receptor agonist potency. |
Bioorg Med Chem Lett 6: 811-814 (1996)
Article DOI: 10.1016/0960-894X(96)00111-4
BindingDB Entry DOI: 10.7270/Q2ZK5H5H |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM25400
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| n/a | n/a | n/a | n/a | 0.190 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the Adenosine A1 receptor agonist potency. |
Bioorg Med Chem Lett 6: 811-814 (1996)
Article DOI: 10.1016/0960-894X(96)00111-4
BindingDB Entry DOI: 10.7270/Q2ZK5H5H |
More data for this
Ligand-Target Pair | |
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