Found 42 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)) | BDBM50375517
(CHEMBL411245)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:23.25,25.26,THB:17:18:23.25:21,TEB:24:23:21:19.18,24:25:21:19.18| Show InChI InChI=1S/C19H24N6O4S/c1-2-20-18(28)13-11(26)12(27)19(29-13)25-6-23-10-16(21-5-22-17(10)25)24-9-4-7-3-8(9)15-14(7)30-15/h5-9,11-15,19,26-27H,2-4H2,1H3,(H,20,28)(H,21,22,24)/t7-,8-,9-,11-,12+,13-,14?,15?,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375516
(CHEMBL258759)Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:20.22,22.23,THB:14:15:20.22:18,TEB:21:20:18:16.15,21:22:18:16.15| Show InChI InChI=1S/C17H20ClN5O3S/c18-3-9-11(24)12(25)17(26-9)23-5-21-10-15(19-4-20-16(10)23)22-8-2-6-1-7(8)14-13(6)27-14/h4-9,11-14,17,24-25H,1-3H2,(H,19,20,22)/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
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375515
(CHEMBL410288)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:21.23,23.24,THB:15:16:21.23:19,TEB:22:21:19:17.16,22:23:19:17.16| Show InChI InChI=1S/C18H23N5O3S2/c1-27-4-10-12(24)13(25)18(26-10)23-6-21-11-16(19-5-20-17(11)23)22-9-3-7-2-8(9)15-14(7)28-15/h5-10,12-15,18,24-25H,2-4H2,1H3,(H,19,20,22)/t7-,8-,9-,10+,12+,13+,14?,15?,18+/m0/s1 | 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 |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375531
(CHEMBL427737)Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:14:15:19.18:21| Show InChI InChI=1S/C17H22ClN5O3/c18-5-11-13(24)14(25)17(26-11)23-7-21-12-15(19-6-20-16(12)23)22-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,19,20,22)/t8-,9-,10-,11+,13+,14+,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375532
(CHEMBL262604)Show SMILES O[C@@H]1[C@@H](CF)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:14:15:19.18:21| Show InChI InChI=1S/C17H22FN5O3/c18-5-11-13(24)14(25)17(26-11)23-7-21-12-15(19-6-20-16(12)23)22-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,19,20,22)/t8-,9-,10-,11+,13+,14+,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
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
PubMed
| 21.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375514
(CHEMBL412104)Show SMILES C[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:21.23,23.24,THB:15:16:21.23:19,TEB:22:21:19:17.16,22:23:19:17.16| Show InChI InChI=1S/C18H23N5O3SSe/c1-28-4-10-12(24)13(25)18(26-10)23-6-21-11-16(19-5-20-17(11)23)22-9-3-7-2-8(9)15-14(7)27-15/h5-10,12-15,18,24-25H,2-4H2,1H3,(H,19,20,22)/t7-,8-,9-,10+,12+,13+,14?,15?,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375529
(CHEMBL258489)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:15:16:20.19:22| Show InChI InChI=1S/C18H25N5O3S/c1-27-6-12-14(24)15(25)18(26-12)23-8-21-13-16(19-7-20-17(13)23)22-11-5-9-2-3-10(11)4-9/h7-12,14-15,18,24-25H,2-6H2,1H3,(H,19,20,22)/t9-,10-,11-,12+,14+,15+,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375528
(CHEMBL260631)Show SMILES CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:16:17:21.20:23| Show InChI InChI=1S/C19H27N5O3S/c1-2-28-7-13-15(25)16(26)19(27-13)24-9-22-14-17(20-8-21-18(14)24)23-12-6-10-3-4-11(12)5-10/h8-13,15-16,19,25-26H,2-7H2,1H3,(H,20,21,23)/t10-,11-,12-,13+,15+,16+,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 122 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375533
(CHEMBL263643)Show SMILES CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C17H25N5O3S/c1-2-26-7-11-13(23)14(24)17(25-11)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-4-6-10/h8-11,13-14,17,23-24H,2-7H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 173 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375530
(CHEMBL260205)Show SMILES O[C@@H]1[C@@H](CS)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:14:15:19.18:21| Show InChI InChI=1S/C17H23N5O3S/c23-13-11(5-26)25-17(14(13)24)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,23-24,26H,1-5H2,(H,18,19,21)/t8-,9-,10-,11+,13+,14+,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 283 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375525
(CHEMBL262876)Show SMILES C[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:15:16:20.19:22| Show InChI InChI=1S/C18H25N5O3Se/c1-27-6-12-14(24)15(25)18(26-12)23-8-21-13-16(19-7-20-17(13)23)22-11-5-9-2-3-10(11)4-9/h7-12,14-15,18,24-25H,2-6H2,1H3,(H,19,20,22)/t9-,10-,11-,12+,14+,15+,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 285 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375527
(CHEMBL258972)Show SMILES CCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:17:18:22.21:24| Show InChI InChI=1S/C20H29N5O3S/c1-2-5-29-8-14-16(26)17(27)20(28-14)25-10-23-15-18(21-9-22-19(15)25)24-13-7-11-3-4-12(13)6-11/h9-14,16-17,20,26-27H,2-8H2,1H3,(H,21,22,24)/t11-,12-,13-,14+,16+,17+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 383 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375526
(CHEMBL258760)Show SMILES O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:21:22:26.25:28| Show InChI InChI=1S/C23H26FN5O3S/c24-14-3-1-2-4-17(14)33-9-16-19(30)20(31)23(32-16)29-11-27-18-21(25-10-26-22(18)29)28-15-8-12-5-6-13(15)7-12/h1-4,10-13,15-16,19-20,23,30-31H,5-9H2,(H,25,26,28)/t12-,13-,15-,16+,19+,20+,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 431 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375519
(CHEMBL279161)Show SMILES CNC(=O)O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |THB:24:23:21:19.18,24:25:21:19.18,17:18:23.25:21| Show InChI InChI=1S/C18H22N6O5S/c1-19-18(27)29-17-11(26)10(25)16(28-17)24-5-22-9-14(20-4-21-15(9)24)23-8-3-6-2-7(8)13-12(6)30-13/h4-8,10-13,16-17,25-26H,2-3H2,1H3,(H,19,27)(H,20,21,23)/t6-,7-,8-,10+,11-,12?,13?,16+,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375518
(CHEMBL411859)Show SMILES CN(C)C(=S)O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:24.26,26.27,THB:18:19:24.26:22,TEB:25:24:22:20.19,25:26:22:20.19| Show InChI InChI=1S/C19H24N6O4S2/c1-24(2)19(30)29-18-12(27)11(26)17(28-18)25-6-22-10-15(20-5-21-16(10)25)23-9-4-7-3-8(9)14-13(7)31-14/h5-9,11-14,17-18,26-27H,3-4H2,1-2H3,(H,20,21,23)/t7-,8-,9-,11+,12-,13?,14?,17+,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375524
(CHEMBL265947)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:14:15:19.18:21| Show InChI InChI=1S/C17H24N6O3/c18-5-11-13(24)14(25)17(26-11)23-7-21-12-15(19-6-20-16(12)23)22-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5,18H2,(H,19,20,22)/t8-,9-,10-,11+,13+,14+,17+/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375521
(CHEMBL262850)Show SMILES CC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:17:18:22.21:24| Show InChI InChI=1S/C19H26N6O4/c1-9(26)20-6-13-15(27)16(28)19(29-13)25-8-23-14-17(21-7-22-18(14)25)24-12-5-10-2-3-11(12)4-10/h7-8,10-13,15-16,19,27-28H,2-6H2,1H3,(H,20,26)(H,21,22,24)/t10-,11-,12-,13+,15+,16+,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375522
(CHEMBL411279)Show SMILES CCCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:17:18:22.21:24| Show InChI InChI=1S/C20H30N6O3/c1-2-5-21-8-14-16(27)17(28)20(29-14)26-10-24-15-18(22-9-23-19(15)26)25-13-7-11-3-4-12(13)6-11/h9-14,16-17,20-21,27-28H,2-8H2,1H3,(H,22,23,25)/t11-,12-,13-,14+,16+,17+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375523
(CHEMBL442468)Show SMILES CNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:15:16:20.19:22| Show InChI InChI=1S/C18H26N6O3/c1-19-6-12-14(25)15(26)18(27-12)24-8-22-13-16(20-7-21-17(13)24)23-11-5-9-2-3-10(11)4-9/h7-12,14-15,18-19,25-26H,2-6H2,1H3,(H,20,21,23)/t9-,10-,11-,12+,14+,15+,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375520
(CHEMBL411463)Show SMILES CN(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:16:17:21.20:23| Show InChI InChI=1S/C19H28N6O3/c1-24(2)7-13-15(26)16(27)19(28-13)25-9-22-14-17(20-8-21-18(14)25)23-12-6-10-3-4-11(12)5-10/h8-13,15-16,19,26-27H,3-7H2,1-2H3,(H,20,21,23)/t10-,11-,12-,13+,15+,16+,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375517
(CHEMBL411245)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:23.25,25.26,THB:17:18:23.25:21,TEB:24:23:21:19.18,24:25:21:19.18| Show InChI InChI=1S/C19H24N6O4S/c1-2-20-18(28)13-11(26)12(27)19(29-13)25-6-23-10-16(21-5-22-17(10)25)24-9-4-7-3-8(9)15-14(7)30-15/h5-9,11-15,19,26-27H,2-4H2,1H3,(H,20,28)(H,21,22,24)/t7-,8-,9-,11-,12+,13-,14?,15?,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375516
(CHEMBL258759)Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:20.22,22.23,THB:14:15:20.22:18,TEB:21:20:18:16.15,21:22:18:16.15| Show InChI InChI=1S/C17H20ClN5O3S/c18-3-9-11(24)12(25)17(26-9)23-5-21-10-15(19-4-20-16(10)23)22-8-2-6-1-7(8)14-13(6)27-14/h4-9,11-14,17,24-25H,1-3H2,(H,19,20,22)/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
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375515
(CHEMBL410288)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:21.23,23.24,THB:15:16:21.23:19,TEB:22:21:19:17.16,22:23:19:17.16| Show InChI InChI=1S/C18H23N5O3S2/c1-27-4-10-12(24)13(25)18(26-10)23-6-21-11-16(19-5-20-17(11)23)22-9-3-7-2-8(9)15-14(7)28-15/h5-10,12-15,18,24-25H,2-4H2,1H3,(H,19,20,22)/t7-,8-,9-,10+,12+,13+,14?,15?,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375531
(CHEMBL427737)Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:14:15:19.18:21| Show InChI InChI=1S/C17H22ClN5O3/c18-5-11-13(24)14(25)17(26-11)23-7-21-12-15(19-6-20-16(12)23)22-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,19,20,22)/t8-,9-,10-,11+,13+,14+,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
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
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375532
(CHEMBL262604)Show SMILES O[C@@H]1[C@@H](CF)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:14:15:19.18:21| Show InChI InChI=1S/C17H22FN5O3/c18-5-11-13(24)14(25)17(26-11)23-7-21-12-15(19-6-20-16(12)23)22-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,19,20,22)/t8-,9-,10-,11+,13+,14+,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375514
(CHEMBL412104)Show SMILES C[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:21.23,23.24,THB:15:16:21.23:19,TEB:22:21:19:17.16,22:23:19:17.16| Show InChI InChI=1S/C18H23N5O3SSe/c1-28-4-10-12(24)13(25)18(26-10)23-6-21-11-16(19-5-20-17(11)23)22-9-3-7-2-8(9)15-14(7)27-15/h5-10,12-15,18,24-25H,2-4H2,1H3,(H,19,20,22)/t7-,8-,9-,10+,12+,13+,14?,15?,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375527
(CHEMBL258972)Show SMILES CCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:17:18:22.21:24| Show InChI InChI=1S/C20H29N5O3S/c1-2-5-29-8-14-16(26)17(27)20(28-14)25-10-23-15-18(21-9-22-19(15)25)24-13-7-11-3-4-12(13)6-11/h9-14,16-17,20,26-27H,2-8H2,1H3,(H,21,22,24)/t11-,12-,13-,14+,16+,17+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375533
(CHEMBL263643)Show SMILES CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C17H25N5O3S/c1-2-26-7-11-13(23)14(24)17(25-11)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-4-6-10/h8-11,13-14,17,23-24H,2-7H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375526
(CHEMBL258760)Show SMILES O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:21:22:26.25:28| Show InChI InChI=1S/C23H26FN5O3S/c24-14-3-1-2-4-17(14)33-9-16-19(30)20(31)23(32-16)29-11-27-18-21(25-10-26-22(18)29)28-15-8-12-5-6-13(15)7-12/h1-4,10-13,15-16,19-20,23,30-31H,5-9H2,(H,25,26,28)/t12-,13-,15-,16+,19+,20+,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375528
(CHEMBL260631)Show SMILES CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:16:17:21.20:23| Show InChI InChI=1S/C19H27N5O3S/c1-2-28-7-13-15(25)16(26)19(27-13)24-9-22-14-17(20-8-21-18(14)24)23-12-6-10-3-4-11(12)5-10/h8-13,15-16,19,25-26H,2-7H2,1H3,(H,20,21,23)/t10-,11-,12-,13+,15+,16+,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375525
(CHEMBL262876)Show SMILES C[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:15:16:20.19:22| Show InChI InChI=1S/C18H25N5O3Se/c1-27-6-12-14(24)15(25)18(26-12)23-8-21-13-16(19-7-20-17(13)23)22-11-5-9-2-3-10(11)4-9/h7-12,14-15,18,24-25H,2-6H2,1H3,(H,19,20,22)/t9-,10-,11-,12+,14+,15+,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375529
(CHEMBL258489)Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:15:16:20.19:22| Show InChI InChI=1S/C18H25N5O3S/c1-27-6-12-14(24)15(25)18(26-12)23-8-21-13-16(19-7-20-17(13)23)22-11-5-9-2-3-10(11)4-9/h7-12,14-15,18,24-25H,2-6H2,1H3,(H,19,20,22)/t9-,10-,11-,12+,14+,15+,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375530
(CHEMBL260205)Show SMILES O[C@@H]1[C@@H](CS)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:14:15:19.18:21| Show InChI InChI=1S/C17H23N5O3S/c23-13-11(5-26)25-17(14(13)24)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,23-24,26H,1-5H2,(H,18,19,21)/t8-,9-,10-,11+,13+,14+,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 224 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375524
(CHEMBL265947)Show SMILES NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:14:15:19.18:21| Show InChI InChI=1S/C17H24N6O3/c18-5-11-13(24)14(25)17(26-11)23-7-21-12-15(19-6-20-16(12)23)22-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5,18H2,(H,19,20,22)/t8-,9-,10-,11+,13+,14+,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 351 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375519
(CHEMBL279161)Show SMILES CNC(=O)O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |THB:24:23:21:19.18,24:25:21:19.18,17:18:23.25:21| Show InChI InChI=1S/C18H22N6O5S/c1-19-18(27)29-17-11(26)10(25)16(28-17)24-5-22-9-14(20-4-21-15(9)24)23-8-3-6-2-7(8)13-12(6)30-13/h4-8,10-13,16-17,25-26H,2-3H2,1H3,(H,19,27)(H,20,21,23)/t6-,7-,8-,10+,11-,12?,13?,16+,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375521
(CHEMBL262850)Show SMILES CC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:17:18:22.21:24| Show InChI InChI=1S/C19H26N6O4/c1-9(26)20-6-13-15(27)16(28)19(29-13)25-8-23-14-17(21-7-22-18(14)25)24-12-5-10-2-3-11(12)4-10/h7-8,10-13,15-16,19,27-28H,2-6H2,1H3,(H,20,26)(H,21,22,24)/t10-,11-,12-,13+,15+,16+,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 605 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375518
(CHEMBL411859)Show SMILES CN(C)C(=S)O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12 |w:24.26,26.27,THB:18:19:24.26:22,TEB:25:24:22:20.19,25:26:22:20.19| Show InChI InChI=1S/C19H24N6O4S2/c1-24(2)19(30)29-18-12(27)11(26)17(28-18)25-6-22-10-15(20-5-21-16(10)25)23-9-4-7-3-8(9)14-13(7)31-14/h5-9,11-14,17-18,26-27H,3-4H2,1-2H3,(H,20,21,23)/t7-,8-,9-,11+,12-,13?,14?,17+,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375523
(CHEMBL442468)Show SMILES CNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:15:16:20.19:22| Show InChI InChI=1S/C18H26N6O3/c1-19-6-12-14(25)15(26)18(27-12)24-8-22-13-16(20-7-21-17(13)24)23-11-5-9-2-3-10(11)4-9/h7-12,14-15,18-19,25-26H,2-6H2,1H3,(H,20,21,23)/t9-,10-,11-,12+,14+,15+,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 867 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375520
(CHEMBL411463)Show SMILES CN(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:16:17:21.20:23| Show InChI InChI=1S/C19H28N6O3/c1-24(2)7-13-15(26)16(27)19(28-13)25-9-22-14-17(20-8-21-18(14)25)23-12-6-10-3-4-11(12)5-10/h8-13,15-16,19,26-27H,3-7H2,1-2H3,(H,20,21,23)/t10-,11-,12-,13+,15+,16+,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50375522
(CHEMBL411279)Show SMILES CCCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12 |TLB:17:18:22.21:24| Show InChI InChI=1S/C20H30N6O3/c1-2-5-21-8-14-16(27)17(28)20(29-14)26-10-24-15-18(22-9-23-19(15)26)25-13-7-11-3-4-12(13)6-11/h9-14,16-17,20-21,27-28H,2-8H2,1H3,(H,22,23,25)/t11-,12-,13-,14+,16+,17+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description
Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells |
Bioorg Med Chem 16: 1861-73 (2008)
Article DOI: 10.1016/j.bmc.2007.11.010
BindingDB Entry DOI: 10.7270/Q29K4C44 |
More data for this
Ligand-Target Pair | |
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