Found 10 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)) | BDBM50085658
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 0.830 | -48.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM97464
(US8470800, A | US8609833, 17)Show SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| US Patent
| 0.970 | -47.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM97468
(US8470800, E)Show SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r| Show InChI InChI=1S/C16H22N6O6/c23-12-10(6-27-22(25)26)28-16(13(12)24)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,23-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 1.32 | -47.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM97470
(US8470800, G)Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COS(=O)(=O)O[Na])n1cnc2c(NC3CCCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C16H22ClN5O7S.Na/c17-16-20-13(19-8-4-2-1-3-5-8)10-14(21-16)22(7-18-10)15-12(24)11(23)9(29-15)6-28-30(25,26)27;/h7-9,11-12,15,23-24H,1-6H2,(H,19,20,21)(H,25,26,27);/q;+1/p-1/t9-,11-,12-,15-;/m1./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 1.36 | -47.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM97469
(US8470800, F)Show SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r| Show InChI InChI=1S/C17H22N6O6/c24-13-11(5-28-23(26)27)29-17(14(13)25)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11-,13-,14-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 1.47 | -46.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
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
| US Patent
| 2.30 | -45.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM97465
(US8470800, B | US8609833, 85)Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[N+]([O-])=O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H19ClN6O6/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(28-14)5-27-22(25)26/h6-8,10-11,14,23-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 2.63 | -45.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM97466
(US8470800, C)Show SMILES O[C@@H]1[C@@H](COS(=O)(=O)O[Na])O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C15H21N5O7S.Na/c21-11-9(5-26-28(23,24)25)27-15(12(11)22)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8;/h6-9,11-12,15,21-22H,1-5H2,(H,16,17,19)(H,23,24,25);/q;+1/p-1/t9-,11-,12-,15-;/m1./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 4.05 | -44.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM97471
(US8470800, H)Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[N+]([O-])=O)n1cnc2c(NC3CCCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C16H21ClN6O6/c17-16-20-13(19-8-4-2-1-3-5-8)10-14(21-16)22(7-18-10)15-12(25)11(24)9(29-15)6-28-23(26)27/h7-9,11-12,15,24-25H,1-6H2,(H,19,20,21)/t9-,11-,12-,15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 8 | -43.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM97467
(US8470800, D | US8609833, 93)Show SMILES O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C14H18N6O7/c21-10-8(4-26-20(23)24)27-14(11(10)22)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-25-3-7/h5-8,10-11,14,21-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 10.6 | -42.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Inotek Pharmaceuticals Corporation
US Patent
| Assay Description
Radioligand binding assay using adenosine receptor. |
US Patent US8470800 (2013)
BindingDB Entry DOI: 10.7270/Q2SQ8Z0M |
More data for this
Ligand-Target Pair | |
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