Found 38 hits of kd for UniProtKB: P25099 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50009552
(2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 |r| Show InChI InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H] CGS 21680 from rat hippocampus adenosine A1 receptor |
J Med Chem 59: 788-809 (2016)
Article DOI: 10.1021/acs.jmedchem.5b00828
BindingDB Entry DOI: 10.7270/Q25M67MM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588465
(CHEMBL5187736)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCNC(=O)CCCCNC(=O)CCCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)cc1 |c:64,66,t:61| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50023398
((4-{3-[2-(4-Amino-3-iodo-phenyl)-ethyl]-2,6-dioxo-...)Show SMILES CCCn1c(=O)n(CCc2ccc(N)c(I)c2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C24H24IN5O5/c1-2-10-30-23(33)20-22(29(24(30)34)11-9-14-3-8-18(26)17(25)12-14)28-21(27-20)15-4-6-16(7-5-15)35-13-19(31)32/h3-8,12H,2,9-11,13,26H2,1H3,(H,27,28)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a |
University of Virginia School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor in rat brain membrane(KD) |
J Med Chem 31: 752-6 (1988)
BindingDB Entry DOI: 10.7270/Q28916FW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50023395
((4-{3-[2-(4-Azido-3-iodo-phenyl)-ethyl]-2,6-dioxo-...)Show SMILES CCCn1c(=O)n(CCc2ccc(N=[N+]=[N-])c(I)c2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C24H22IN7O5/c1-2-10-32-23(35)20-22(28-21(27-20)15-4-6-16(7-5-15)37-13-19(33)34)31(24(32)36)11-9-14-3-8-18(29-30-26)17(25)12-14/h3-8,12H,2,9-11,13H2,1H3,(H,27,28)(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a |
University of Virginia School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor in rat brain membrane(KD) |
J Med Chem 31: 752-6 (1988)
BindingDB Entry DOI: 10.7270/Q28916FW |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50040787
(CHEMBL3137809 | Sodium salt of 4,5,8-trisulphurica...)Show SMILES [Na+].[Na+].[Na+].[H][C@@]12CCC(C(C)CCC(C)C(C)(C)C)C1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OS([O-])(=O)=O)C2C[C@H](OS([O-])(=O)=O)[C@H](CC12C)OS([O-])(=O)=O Show InChI InChI=1S/C29H52O12S3.3Na/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(39-42(30,31)32)23-15-25(40-43(33,34)35)26(41-44(36,37)38)16-29(23,7)22(19)12-13-28(20,21)6;;;/h17-26H,8-16H2,1-7H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/t17?,18?,19-,20?,21-,22-,23?,24-,25-,26-,28?,29?;;;/m0.../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Kd value for adenosine A1 receptor binding at 145 uM |
Bioorg Med Chem Lett 2: 1631-1634 (1992)
Article DOI: 10.1016/S0960-894X(00)80445-X
BindingDB Entry DOI: 10.7270/Q2Z60P0N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50040787
(CHEMBL3137809 | Sodium salt of 4,5,8-trisulphurica...)Show SMILES [Na+].[Na+].[Na+].[H][C@@]12CCC(C(C)CCC(C)C(C)(C)C)C1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](OS([O-])(=O)=O)C2C[C@H](OS([O-])(=O)=O)[C@H](CC12C)OS([O-])(=O)=O Show InChI InChI=1S/C29H52O12S3.3Na/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(39-42(30,31)32)23-15-25(40-43(33,34)35)26(41-44(36,37)38)16-29(23,7)22(19)12-13-28(20,21)6;;;/h17-26H,8-16H2,1-7H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/t17?,18?,19-,20?,21-,22-,23?,24-,25-,26-,28?,29?;;;/m0.../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Kd value for adenosine A1 receptor binding at 14.5 uM |
Bioorg Med Chem Lett 2: 1631-1634 (1992)
Article DOI: 10.1016/S0960-894X(00)80445-X
BindingDB Entry DOI: 10.7270/Q2Z60P0N |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50422943
(CHEMBL375965)Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NCCCCNC(=O)CCCCCNC(=O)COc3ccc([CH+]\C=c4/ccc5=Cc6ccc(-c7cccs7)n6[B-](F)(F)n45)cc3)ncnc12 |t:42| Show InChI InChI=1S/C43H48BF2N9O7S/c45-44(46)54-29(13-14-30(54)23-31-15-18-33(55(31)44)35-7-6-22-63-35)12-9-28-10-16-32(17-11-28)61-25-37(58)48-19-3-1-2-8-36(57)47-20-4-5-21-49-41-38-42(51-26-50-41)53(27-52-38)43-40(60)39(59)34(24-56)62-43/h6-7,9-18,22-23,26-27,34,39-40,43,56,59-60H,1-5,8,19-21,24-25H2,(H,47,57)(H,48,58)(H,49,50,51)/b29-12+ | PDB
Reactome pathway
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AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 891 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to N-terminal NLuc tagged rat A1 adenosine receptor expressed in Flp-In-CHO cells by competitive binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02067
BindingDB Entry DOI: 10.7270/Q2CV4NM3 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50422942
(CHEMBL414055)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCCCCNC(=O)CCCCCNC(=O)COc3ccc([CH+]\C=c4/ccc5=Cc6ccc(-c7cccs7)n6[B-](F)(F)n45)cc3)ncnc12 |t:45| Show InChI InChI=1S/C45H51BF2N10O7S/c1-2-49-44(63)41-39(61)40(62)45(65-41)56-28-55-38-42(53-27-54-43(38)56)52-23-7-6-22-50-36(59)10-4-3-5-21-51-37(60)26-64-33-18-12-29(13-19-33)11-14-30-15-16-31-25-32-17-20-34(35-9-8-24-66-35)58(32)46(47,48)57(30)31/h8-9,11-20,24-25,27-28,39-41,45,61-62H,2-7,10,21-23,26H2,1H3,(H,49,63)(H,50,59)(H,51,60)(H,52,53,54)/b30-14+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 891 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to N-terminal NLuc tagged rat A1 adenosine receptor expressed in Flp-In-CHO cells by competitive binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02067
BindingDB Entry DOI: 10.7270/Q2CV4NM3 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50583646
(CHEMBL5078671)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCNC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCCCNC(=O)COc3ccc(\C=C\C4=[N+]5C(C=C4)=Cc4ccc(-c6cccs6)n4[B-]5(F)F)cc3)ncnc12 |r,c:59,61,t:56| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.78E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to N-terminal NLuc tagged rat A1 adenosine receptor expressed in Flp-In-CHO cells by competitive binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02067
BindingDB Entry DOI: 10.7270/Q2CV4NM3 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50583648
(CHEMBL5092175)Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCNC(=O)CCCCNC(=O)CCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)cc1 |c:63,65,t:60,(15.68,-14.66,;15.67,-13.11,;14.33,-12.34,;14.33,-10.79,;15.68,-10.02,;17.15,-10.49,;18.04,-9.24,;17.13,-8,;15.67,-8.48,;14.33,-7.7,;14.33,-6.15,;12.99,-8.48,;11.65,-7.71,;11.65,-6.16,;10.3,-5.39,;12.99,-10.02,;11.65,-10.8,;19.58,-9.22,;20.35,-10.54,;21.88,-10.53,;22.64,-9.19,;24.18,-9.17,;24.96,-10.5,;26.5,-10.48,;27.26,-9.14,;27.29,-11.81,;28.83,-11.79,;29.61,-13.11,;31.15,-13.09,;31.94,-14.42,;31.18,-15.76,;33.48,-14.4,;34.26,-15.73,;35.8,-15.71,;36.59,-17.03,;35.83,-18.38,;38.13,-17.02,;38.91,-18.34,;40.45,-18.32,;41.24,-19.65,;42.78,-19.63,;43.56,-20.95,;42.81,-22.3,;45.1,-20.94,;45.89,-22.26,;47.43,-22.24,;48.21,-23.57,;49.75,-23.55,;50.54,-24.88,;49.78,-26.22,;52.08,-24.86,;52.86,-26.18,;54.4,-26.17,;55.18,-27.5,;56.72,-27.48,;57.47,-26.14,;59.01,-26.12,;59.8,-27.44,;61.34,-27.42,;62.84,-27.77,;62.98,-29.31,;61.55,-29.92,;60.54,-28.75,;64.38,-29.97,;65.65,-29.08,;67.16,-29.42,;67.95,-28.09,;66.94,-26.93,;67.28,-25.43,;68.71,-24.81,;68.57,-23.27,;67.06,-22.92,;66.26,-24.25,;65.51,-27.54,;64.09,-26.87,;63.01,-25.79,;65.01,-25.63,;56.68,-24.81,;55.15,-24.83,;21.85,-7.86,;20.32,-7.89,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to N-terminal NLuc tagged rat A1 adenosine receptor expressed in Flp-In-CHO cells by competitive binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02067
BindingDB Entry DOI: 10.7270/Q2CV4NM3 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50149594
(CHEMBL3771208)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C22H27N5O5/c28-9-16-18(29)19(30)22(32-16)27-12-25-17-20(23-11-24-21(17)27)26-14-7-4-8-15(14)31-10-13-5-2-1-3-6-13/h1-3,5-6,11-12,14-16,18-19,22,28-30H,4,7-10H2,(H,23,24,26)/t14-,15-,16-,18-,19-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM14487
((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | PDB
Reactome pathway
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PDB
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Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588441
(CHEMBL5187478)Show SMILES COc1cccc(CO[C@@H]2CCC[C@H]2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
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| Article
PubMed
| n/a | n/a | n/a | 324 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588442
(CHEMBL5179726)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3cccc(Br)c3)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 676 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588443
(CHEMBL5182056)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccc(Br)cc3)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 575 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588444
(CHEMBL5199871)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3Cl)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588445
(CHEMBL5209222)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3cccc(Cl)c3)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 209 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM21220
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
Reactome pathway
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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
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Similars
| Article
PubMed
| n/a | n/a | n/a | 295 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588446
(CHEMBL5170857)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3cccc(OC)c3)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 708 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588447
(CHEMBL5172389)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3cccc(Br)c3)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 417 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588448
(CHEMBL5206687)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccc(Br)cc3)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588449
(CHEMBL5208245)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3Cl)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588450
(CHEMBL5184828)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3cccc(Cl)c3)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588451
(CHEMBL5186757)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccccc3)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588452
(CHEMBL5171285)Show SMILES CC(C)(C)c1ccc(O[C@@H]2CCC[C@H]2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 676 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588453
(CHEMBL5201013)Show SMILES COc1cccc(O[C@@H]2CCC[C@H]2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 263 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588454
(CHEMBL5174052)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Br)c3)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588455
(CHEMBL5197358)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccccc3Cl)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588456
(CHEMBL5205907)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Cl)c3)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588457
(CHEMBL5186981)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccc(Cl)cc3)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 263 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588458
(CHEMBL5171042)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccccc3)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588459
(CHEMBL5188601)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccc(cc3)C(C)(C)C)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588460
(CHEMBL5187330)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(OC)c3)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588461
(CHEMBL5203632)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Br)c3)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588462
(CHEMBL5195714)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccccc3Cl)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588463
(CHEMBL5174429)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Cl)c3)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50588464
(CHEMBL5191989)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccc(Cl)cc3)ncnc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01414
BindingDB Entry DOI: 10.7270/Q20V8HRB |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM82558
(CAS_163889 | CHEMBL355370 | I-ABOPX | NSC_163889)Show SMILES CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C23H22IN5O5/c1-2-9-28-22(32)19-21(29(23(28)33)11-13-3-8-17(25)16(24)10-13)27-20(26-19)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a |
University of Virginia School of Medicine
Curated by ChEMBL
| Assay Description
Binding affinity towards adenosine A1 receptor in rat brain membrane(KD) |
J Med Chem 31: 752-6 (1988)
BindingDB Entry DOI: 10.7270/Q28916FW |
More data for this
Ligand-Target Pair | |
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