Found 428 hits with Last Name = 'ryan' and Initial = 'mj' 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 |
|---|
Type-1 angiotensin II receptor A
(RAT) | BDBM82259
(CAS_123856 | L-158,809 | NSC_123856)Show SMILES CCc1nc2c(C)cc(C)nc2n1-c1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 963-9 (1995)
BindingDB Entry DOI: 10.7270/Q2J38R2N |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(RAT) | BDBM50009338
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |r,wU:60.63,wD:24.23,36.36,43.43,56.59,17.16,6.5,(6.84,-31.4,;5.3,-31.4,;4.53,-30.07,;2.99,-30.07,;2.22,-31.4,;2.22,-28.73,;2.99,-27.4,;4.53,-27.4,;5.3,-26.07,;4.53,-24.73,;5.3,-23.4,;6.84,-23.4,;7.61,-24.73,;7.61,-22.07,;2.22,-26.07,;2.99,-24.73,;.68,-26.07,;-.09,-24.73,;.68,-23.4,;2.22,-23.4,;-.09,-22.07,;-1.63,-24.73,;-2.4,-23.4,;-2.4,-26.07,;-3.94,-26.07,;-4.71,-24.73,;-6.25,-24.73,;-7.02,-23.4,;-8.56,-23.4,;-9.33,-24.73,;-10.87,-24.73,;-8.56,-26.07,;-7.02,-26.07,;-4.71,-27.4,;-6.25,-27.4,;-3.94,-28.73,;-4.71,-30.07,;-6.25,-30.07,;-7.02,-28.73,;-7.02,-31.4,;-3.94,-31.4,;-2.4,-31.4,;-4.71,-32.73,;-3.94,-34.07,;-4.71,-35.4,;-6.25,-35.4,;-7.15,-34.16,;-8.62,-34.63,;-8.62,-36.17,;-7.15,-36.65,;-2.4,-34.07,;-1.63,-32.73,;-1.63,-35.4,;-2.26,-36.81,;-1.12,-37.84,;.22,-37.07,;-.1,-35.56,;.93,-34.42,;.45,-32.95,;2.42,-34.82,;3.5,-33.73,;3.11,-32.24,;5,-34.13,;6.09,-33.04,;5.39,-35.61,)| Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1 | PDB
KEGG
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| Purchase
CHEMBL
PC cid
PC sid
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| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 963-9 (1995)
BindingDB Entry DOI: 10.7270/Q2J38R2N |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A
(RAT) | BDBM50009338
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |r,wU:60.63,wD:24.23,36.36,43.43,56.59,17.16,6.5,(6.84,-31.4,;5.3,-31.4,;4.53,-30.07,;2.99,-30.07,;2.22,-31.4,;2.22,-28.73,;2.99,-27.4,;4.53,-27.4,;5.3,-26.07,;4.53,-24.73,;5.3,-23.4,;6.84,-23.4,;7.61,-24.73,;7.61,-22.07,;2.22,-26.07,;2.99,-24.73,;.68,-26.07,;-.09,-24.73,;.68,-23.4,;2.22,-23.4,;-.09,-22.07,;-1.63,-24.73,;-2.4,-23.4,;-2.4,-26.07,;-3.94,-26.07,;-4.71,-24.73,;-6.25,-24.73,;-7.02,-23.4,;-8.56,-23.4,;-9.33,-24.73,;-10.87,-24.73,;-8.56,-26.07,;-7.02,-26.07,;-4.71,-27.4,;-6.25,-27.4,;-3.94,-28.73,;-4.71,-30.07,;-6.25,-30.07,;-7.02,-28.73,;-7.02,-31.4,;-3.94,-31.4,;-2.4,-31.4,;-4.71,-32.73,;-3.94,-34.07,;-4.71,-35.4,;-6.25,-35.4,;-7.15,-34.16,;-8.62,-34.63,;-8.62,-36.17,;-7.15,-36.65,;-2.4,-34.07,;-1.63,-32.73,;-1.63,-35.4,;-2.26,-36.81,;-1.12,-37.84,;.22,-37.07,;-.1,-35.56,;.93,-34.42,;.45,-32.95,;2.42,-34.82,;3.5,-33.73,;3.11,-32.24,;5,-34.13,;6.09,-33.04,;5.39,-35.61,)| Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1 | PDB
Reactome pathway
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PC cid
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| PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 963-9 (1995)
BindingDB Entry DOI: 10.7270/Q2J38R2N |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A
(RAT) | BDBM50011977
((E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimid...)Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+ | PDB
Reactome pathway
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| PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 963-9 (1995)
BindingDB Entry DOI: 10.7270/Q2J38R2N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368197
(CHEMBL2235597 | CHEMBL603935)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CSc4ccccc4C3)ncnc12 |r| Show InChI InChI=1S/C19H21N5O4S/c25-6-12-15(26)16(27)19(28-12)24-9-22-14-17(20-8-21-18(14)24)23-11-5-10-3-1-2-4-13(10)29-7-11/h1-4,8-9,11-12,15-16,19,25-27H,5-7H2,(H,20,21,23)/t11?,12-,15-,16-,19?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368192
(CHEMBL2235605 | CHEMBL604358)Show SMILES COc1cc2CC(Cc2cc1OC)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H25N5O6/c1-30-13-5-10-3-12(4-11(10)6-14(13)31-2)25-19-16-20(23-8-22-19)26(9-24-16)21-18(29)17(28)15(7-27)32-21/h5-6,8-9,12,15,17-18,21,27-29H,3-4,7H2,1-2H3,(H,22,23,25)/t15-,17-,18-,21?/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368179
(CHEMBL2236001 | CHEMBL604974)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C20H23N5O4/c26-8-14-16(27)17(28)20(29-14)25-10-24-15-18(22-9-23-19(15)25)21-7-12-6-5-11-3-1-2-4-13(11)12/h1-4,9-10,12,14,16-17,20,26-28H,5-8H2,(H,21,22,23)/t12?,14-,16-,17-,20?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368183
(CHEMBL604141)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc4C3)ncnc12 |r| Show InChI InChI=1S/C20H23N5O4/c26-8-14-16(27)17(28)20(29-14)25-10-23-15-18(21-9-22-19(15)25)24-13-6-5-11-3-1-2-4-12(11)7-13/h1-4,9-10,13-14,16-17,20,26-28H,5-8H2,(H,21,22,24)/t13?,14-,16-,17-,20?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50085667
((2R,3S,4R,5R)-2-Hydroxymethyl-5-{6-[(naphthalen-1-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C21H21N5O4/c27-9-15-17(28)18(29)21(30-15)26-11-25-16-19(23-10-24-20(16)26)22-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,10-11,15,17-18,21,27-29H,8-9H2,(H,22,23,24)/t15-,17-,18-,21-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A2 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A
(RAT) | BDBM82258
(CAS_114798-26-4 | Losartan | NSC_3961)Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | PDB
Reactome pathway
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| 12.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 963-9 (1995)
BindingDB Entry DOI: 10.7270/Q2J38R2N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453036
(CHEMBL2092768)Show SMILES COc1ccc2CCCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1 |r| Show InChI InChI=1S/C21H25N5O5/c1-30-12-6-5-11-3-2-4-14(13(11)7-12)25-19-16-20(23-9-22-19)26(10-24-16)21-18(29)17(28)15(8-27)31-21/h5-7,9-10,14-15,17-18,21,27-29H,2-4,8H2,1H3,(H,22,23,25)/t14?,15-,17-,18-,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 12.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368190
(CHEMBL2235595 | CHEMBL604142)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3COc4ccccc4C3)ncnc12 |r| Show InChI InChI=1S/C19H21N5O5/c25-6-13-15(26)16(27)19(29-13)24-9-22-14-17(20-8-21-18(14)24)23-11-5-10-3-1-2-4-12(10)28-7-11/h1-4,8-9,11,13,15-16,19,25-27H,5-7H2,(H,20,21,23)/t11?,13-,15-,16-,19?/m1/s1 | PDB
Reactome pathway
KEGG
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AffyNet
| CHEMBL
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PC sid
UniChem
Similars
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368180
(CHEMBL2235589 | CHEMBL604764)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CCCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C21H25N5O4/c27-9-15-17(28)18(29)21(30-15)26-11-25-16-19(23-10-24-20(16)26)22-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,7,10-11,13,15,17-18,21,27-29H,3,5-6,8-9H2,(H,22,23,24)/t13?,15-,17-,18-,21?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
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UniChem
Similars
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368178
(CHEMBL2234029 | CHEMBL604763)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C21H25N5O4/c27-9-15-17(28)18(29)21(30-15)26-11-24-16-19(22-10-23-20(16)26)25-14-8-4-2-6-12-5-1-3-7-13(12)14/h1,3,5,7,10-11,14-15,17-18,21,27-29H,2,4,6,8-9H2,(H,22,23,25)/t14?,15-,17-,18-,21?/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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Similars
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368211
(CHEMBL2236011 | CHEMBL604145)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4c(O)cccc34)ncnc12 |r| Show InChI InChI=1S/C20H23N5O5/c26-7-14-16(28)17(29)20(30-14)25-9-23-15-18(21-8-22-19(15)25)24-12-5-1-4-11-10(12)3-2-6-13(11)27/h2-3,6,8-9,12,14,16-17,20,26-29H,1,4-5,7H2,(H,21,22,24)/t12?,14-,16-,17-,20?/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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Similars
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368215
(CHEMBL2235600 | CHEMBL604558)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C19H21N5O4/c25-7-13-15(26)16(27)19(28-13)24-9-22-14-17(20-8-21-18(14)24)23-12-6-5-10-3-1-2-4-11(10)12/h1-4,8-9,12-13,15-16,19,25-27H,5-7H2,(H,20,21,23)/t12-,13-,15-,16-,19?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50229184
(CHEMBL2236003)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C20H23N5O4/c26-8-14-16(27)17(28)20(29-14)25-10-23-15-18(21-9-22-19(15)25)24-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,9-10,13-14,16-17,20,26-28H,3,5,7-8H2,(H,21,22,24)/t13-,14-,16-,17-,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368189
(CHEMBL2235604 | CHEMBL603926)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3Cc4ccccc4C3)ncnc12 |r| Show InChI InChI=1S/C19H21N5O4/c25-7-13-15(26)16(27)19(28-13)24-9-22-14-17(20-8-21-18(14)24)23-12-5-10-3-1-2-4-11(10)6-12/h1-4,8-9,12-13,15-16,19,25-27H,5-7H2,(H,20,21,23)/t13-,15-,16-,19?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368186
(CHEMBL2236012 | CHEMBL604148)Show SMILES COc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H25N5O5/c1-30-14-7-3-4-11-12(14)5-2-6-13(11)25-19-16-20(23-9-22-19)26(10-24-16)21-18(29)17(28)15(8-27)31-21/h3-4,7,9-10,13,15,17-18,21,27-29H,2,5-6,8H2,1H3,(H,22,23,25)/t13?,15-,17-,18-,21?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50085667
((2R,3S,4R,5R)-2-Hydroxymethyl-5-{6-[(naphthalen-1-...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C21H21N5O4/c27-9-15-17(28)18(29)21(30-15)26-11-25-16-19(23-10-24-20(16)26)22-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,10-11,15,17-18,21,27-29H,8-9H2,(H,22,23,24)/t15-,17-,18-,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368212
(CHEMBL2235590 | CHEMBL604147)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccccc4C3)ncnc12 |r| Show InChI InChI=1S/C21H25N5O4/c27-9-15-17(28)18(29)21(30-15)26-11-24-16-19(22-10-23-20(16)26)25-14-7-3-6-12-4-1-2-5-13(12)8-14/h1-2,4-5,10-11,14-15,17-18,21,27-29H,3,6-9H2,(H,22,23,25)/t14?,15-,17-,18-,21?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368222
(CHEMBL2235609 | CHEMBL604767)Show SMILES CC(C)COc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H29N5O5/c1-12(2)9-32-14-4-5-15-13(7-14)3-6-16(15)27-21-18-22(25-10-24-21)28(11-26-18)23-20(31)19(30)17(8-29)33-23/h4-5,7,10-12,16-17,19-20,23,29-31H,3,6,8-9H2,1-2H3,(H,24,25,27)/t16?,17-,19-,20-,23?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368217
(CHEMBL2235608 | CHEMBL604976)Show SMILES CCCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H27N5O5/c1-2-7-31-13-4-5-14-12(8-13)3-6-15(14)26-20-17-21(24-10-23-20)27(11-25-17)22-19(30)18(29)16(9-28)32-22/h4-5,8,10-11,15-16,18-19,22,28-30H,2-3,6-7,9H2,1H3,(H,23,24,26)/t15?,16-,18-,19-,22?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368204
(CHEMBL2235596 | CHEMBL603397)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCSc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C19H21N5O4S/c25-7-12-15(26)16(27)19(28-12)24-9-22-14-17(20-8-21-18(14)24)23-11-5-6-29-13-4-2-1-3-10(11)13/h1-4,8-9,11-12,15-16,19,25-27H,5-7H2,(H,20,21,23)/t11?,12-,15-,16-,19?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368207
(CHEMBL605165)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3=CCc4ccccc34)ncnc12 |r,t:17| Show InChI InChI=1S/C20H21N5O4/c26-8-14-16(27)17(28)20(29-14)25-10-24-15-18(22-9-23-19(15)25)21-7-12-6-5-11-3-1-2-4-13(11)12/h1-4,6,9-10,14,16-17,20,26-28H,5,7-8H2,(H,21,22,23)/t14-,16-,17-,20?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368218
(CHEMBL2235607 | CHEMBL603403)Show SMILES CCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H25N5O5/c1-2-30-12-4-5-13-11(7-12)3-6-14(13)25-19-16-20(23-9-22-19)26(10-24-16)21-18(29)17(28)15(8-27)31-21/h4-5,7,9-10,14-15,17-18,21,27-29H,2-3,6,8H2,1H3,(H,22,23,25)/t14?,15-,17-,18-,21?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368219
(CHEMBL3350060 | CHEMBL604351)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C20H23N5O4/c26-8-14-16(27)17(28)20(29-14)25-10-23-15-18(21-9-22-19(15)25)24-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,9-10,13-14,16-17,20,26-28H,3,5,7-8H2,(H,21,22,24)/t13-,14+,16+,17+,20?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368209
(CHEMBL2236006 | CHEMBL604768)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccc(O)cc34)ncnc12 |r| Show InChI InChI=1S/C20H23N5O5/c26-7-14-16(28)17(29)20(30-14)25-9-23-15-18(21-8-22-19(15)25)24-13-3-1-2-10-4-5-11(27)6-12(10)13/h4-6,8-9,13-14,16-17,20,26-29H,1-3,7H2,(H,21,22,24)/t13?,14-,16-,17-,20?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368193
(CHEMBL2235611 | CHEMBL604769)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4cc(Cl)ccc34)ncnc12 |r| Show InChI InChI=1S/C19H20ClN5O4/c20-10-2-3-11-9(5-10)1-4-12(11)24-17-14-18(22-7-21-17)25(8-23-14)19-16(28)15(27)13(6-26)29-19/h2-3,5,7-8,12-13,15-16,19,26-28H,1,4,6H2,(H,21,22,24)/t12?,13-,15-,16-,19?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368221
(CHEMBL2235583 | CHEMBL603936)Show SMILES CCOc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H27N5O5/c1-2-31-15-8-4-5-12-13(15)6-3-7-14(12)26-20-17-21(24-10-23-20)27(11-25-17)22-19(30)18(29)16(9-28)32-22/h4-5,8,10-11,14,16,18-19,22,28-30H,2-3,6-7,9H2,1H3,(H,23,24,26)/t14?,16-,18-,19-,22?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368191
(CHEMBL2235999 | CHEMBL604352)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4cc(ccc34)[N+]([O-])=O)ncnc12 |r| Show InChI InChI=1S/C19H20N6O6/c26-6-13-15(27)16(28)19(31-13)24-8-22-14-17(20-7-21-18(14)24)23-12-4-1-9-5-10(25(29)30)2-3-11(9)12/h2-3,5,7-8,12-13,15-16,19,26-28H,1,4,6H2,(H,20,21,23)/t12?,13-,15-,16-,19?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453038
(CHEMBL2092765)Show SMILES COc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H23N5O5/c1-29-11-3-4-12-10(6-11)2-5-13(12)24-18-15-19(22-8-21-18)25(9-23-15)20-17(28)16(27)14(7-26)30-20/h3-4,6,8-9,13-14,16-17,20,26-28H,2,5,7H2,1H3,(H,21,22,24)/t13?,14-,16-,17-,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 41.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368216
(CHEMBL2235606 | CHEMBL604766)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4cc(O)ccc34)ncnc12 |r| Show InChI InChI=1S/C19H21N5O5/c25-6-13-15(27)16(28)19(29-13)24-8-22-14-17(20-7-21-18(14)24)23-12-4-1-9-5-10(26)2-3-11(9)12/h2-3,5,7-8,12-13,15-16,19,25-28H,1,4,6H2,(H,20,21,23)/t12?,13-,15-,16-,19?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453037
(CHEMBL2092767)Show SMILES CCCCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H29N5O5/c1-2-3-8-32-14-5-6-15-13(9-14)4-7-16(15)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(10-29)33-23/h5-6,9,11-12,16-17,19-20,23,29-31H,2-4,7-8,10H2,1H3,(H,24,25,27)/t16?,17-,19-,20-,23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50368207
(CHEMBL605165)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3=CCc4ccccc34)ncnc12 |r,t:17| Show InChI InChI=1S/C20H21N5O4/c26-8-14-16(27)17(28)20(29-14)25-10-24-15-18(22-9-23-19(15)25)21-7-12-6-5-11-3-1-2-4-13(11)12/h1-4,6,9-10,14,16-17,20,26-28H,5,7-8H2,(H,21,22,23)/t14-,16-,17-,20?/m1/s1 | PDB
UniProtKB/SwissProt
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UniChem
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| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A2 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50229186
(CHEMBL2235598)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C19H21N5O4/c25-7-13-15(26)16(27)19(28-13)24-9-22-14-17(20-8-21-18(14)24)23-12-6-5-10-3-1-2-4-11(10)12/h1-4,8-9,12-13,15-16,19,25-27H,5-7H2,(H,20,21,23)/t12?,13-,15-,16-,19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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CHEMBL
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| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453037
(CHEMBL2092767)Show SMILES CCCCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H29N5O5/c1-2-3-8-32-14-5-6-15-13(9-14)4-7-16(15)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(10-29)33-23/h5-6,9,11-12,16-17,19-20,23,29-31H,2-4,7-8,10H2,1H3,(H,24,25,27)/t16?,17-,19-,20-,23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50453037
(CHEMBL2092767)Show SMILES CCCCOc1ccc2C(CCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H29N5O5/c1-2-3-8-32-14-5-6-15-13(9-14)4-7-16(15)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(10-29)33-23/h5-6,9,11-12,16-17,19-20,23,29-31H,2-4,7-8,10H2,1H3,(H,24,25,27)/t16?,17-,19-,20-,23-/m1/s1 | PDB
Reactome pathway
KEGG
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| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368202
(CHEMBL2235603 | CHEMBL604151)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4cc5OCOc5cc34)ncnc12 |r| Show InChI InChI=1S/C20H21N5O6/c26-5-14-16(27)17(28)20(31-14)25-7-23-15-18(21-6-22-19(15)25)24-11-2-1-9-3-12-13(4-10(9)11)30-8-29-12/h3-4,6-7,11,14,16-17,20,26-28H,1-2,5,8H2,(H,21,22,24)/t11?,14-,16-,17-,20?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50368220
(CHEMBL2235588 | CHEMBL604143)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3=CCCc4ccccc34)ncnc12 |r,t:17| Show InChI InChI=1S/C21H23N5O4/c27-9-15-17(28)18(29)21(30-15)26-11-25-16-19(23-10-24-20(16)26)22-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-2,4,6-7,10-11,15,17-18,21,27-29H,3,5,8-9H2,(H,22,23,24)/t15-,17-,18-,21?/m1/s1 | PDB
UniProtKB/SwissProt
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| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A2 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50368204
(CHEMBL2235596 | CHEMBL603397)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCSc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C19H21N5O4S/c25-7-12-15(26)16(27)19(28-12)24-9-22-14-17(20-8-21-18(14)24)23-11-5-6-29-13-4-2-1-3-10(11)13/h1-4,8-9,11-12,15-16,19,25-27H,5-7H2,(H,20,21,23)/t11?,12-,15-,16-,19?/m1/s1 | PDB
UniProtKB/SwissProt
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A2 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368214
(CHEMBL604144)Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3(O)CCCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C21H25N5O5/c27-8-14-16(28)17(29)20(31-14)26-11-25-15-18(23-10-24-19(15)26)22-9-21(30)7-3-5-12-4-1-2-6-13(12)21/h1-2,4,6,10-11,14,16-17,20,27-30H,3,5,7-9H2,(H,22,23,24)/t14-,16-,17-,20?,21?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368188
(CHEMBL2235594 | CHEMBL603398)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C19H21N5O5/c25-7-13-15(26)16(27)19(29-13)24-9-22-14-17(20-8-21-18(14)24)23-11-5-6-28-12-4-2-1-3-10(11)12/h1-4,8-9,11,13,15-16,19,25-27H,5-7H2,(H,20,21,23)/t11?,13-,15-,16-,19?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
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UniChem
Similars
| PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50368179
(CHEMBL2236001 | CHEMBL604974)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C20H23N5O4/c26-8-14-16(27)17(28)20(29-14)25-10-24-15-18(22-9-23-19(15)25)21-7-12-6-5-11-3-1-2-4-13(11)12/h1-4,9-10,12,14,16-17,20,26-28H,5-8H2,(H,21,22,23)/t12?,14-,16-,17-,20?/m1/s1 | PDB
UniProtKB/SwissProt
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| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A2 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368205
(CHEMBL2236000 | CHEMBL605167)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3(O)CCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C20H23N5O5/c26-7-13-15(27)16(28)19(30-13)25-10-24-14-17(22-9-23-18(14)25)21-8-20(29)6-5-11-3-1-2-4-12(11)20/h1-4,9-10,13,15-16,19,26-29H,5-8H2,(H,21,22,23)/t13-,15-,16-,19?,20?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
Similars
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| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368200
(CHEMBL2236007 | CHEMBL604150)Show SMILES CCOc1ccc2CCCC(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1 |r| Show InChI InChI=1S/C22H27N5O5/c1-2-31-13-7-6-12-4-3-5-15(14(12)8-13)26-20-17-21(24-10-23-20)27(11-25-17)22-19(30)18(29)16(9-28)32-22/h6-8,10-11,15-16,18-19,22,28-30H,2-5,9H2,1H3,(H,23,24,26)/t15?,16-,18-,19-,22?/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368196
(CHEMBL2236005 | CHEMBL605174)Show SMILES COc1ccc2C(CCCc2c1)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H25N5O5/c1-30-12-5-6-13-11(7-12)3-2-4-14(13)25-19-16-20(23-9-22-19)26(10-24-16)21-18(29)17(28)15(8-27)31-21/h5-7,9-10,14-15,17-18,21,27-29H,2-4,8H2,1H3,(H,22,23,25)/t14?,15-,17-,18-,21?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
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| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a/A2b
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50368178
(CHEMBL2234029 | CHEMBL604763)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C21H25N5O4/c27-9-15-17(28)18(29)21(30-15)26-11-24-16-19(22-10-23-20(16)26)25-14-8-4-2-6-12-5-1-3-7-13(12)14/h1,3,5,7,10-11,14-15,17-18,21,27-29H,2,4,6,8-9H2,(H,22,23,25)/t14?,15-,17-,18-,21?/m1/s1 | PDB
UniProtKB/SwissProt
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| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A2 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368185
(CHEMBL2235584 | CHEMBL604762)Show SMILES CCCOc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H29N5O5/c1-2-9-32-16-8-4-5-13-14(16)6-3-7-15(13)27-21-18-22(25-11-24-21)28(12-26-18)23-20(31)19(30)17(10-29)33-23/h4-5,8,11-12,15,17,19-20,23,29-31H,2-3,6-7,9-10H2,1H3,(H,24,25,27)/t15?,17-,19-,20-,23?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
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UniChem
Similars
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| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50368206
(CHEMBL2235585 | CHEMBL603927)Show SMILES CC(C)Oc1cccc2C(CCCc12)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H29N5O5/c1-12(2)32-16-8-4-5-13-14(16)6-3-7-15(13)27-21-18-22(25-10-24-21)28(11-26-18)23-20(31)19(30)17(9-29)33-23/h4-5,8,10-12,15,17,19-20,23,29-31H,3,6-7,9H2,1-2H3,(H,24,25,27)/t15?,17-,19-,20-,23?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor |
J Med Chem 34: 1043-9 (1991)
BindingDB Entry DOI: 10.7270/Q2HT2PW7 |
More data for this
Ligand-Target Pair | |
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