Found 35 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 A3
(Homo sapiens (Human)) | BDBM50180197
((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM21221
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | Reactome pathway
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PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372727
(CHEMBL271686)Show SMILES CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 Show InChI InChI=1S/C19H20BrClN6O3S/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(21)25-16(11)27)22-7-9-4-3-5-10(20)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 | Reactome pathway
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PubMed
| 9.32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50177309
((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H...)Show SMILES CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H20ClIN6O3S/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 | Reactome pathway
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PubMed
| 15.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372728
(CHEMBL271685)Show SMILES CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 Show InChI InChI=1S/C19H20Cl2N6O3S/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(21)25-16(11)27)22-7-9-4-3-5-10(20)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 | Reactome pathway
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PubMed
| 21.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50177307
((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H...)Show SMILES CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H20ClIN6O4/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 | Reactome pathway
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PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372730
(CHEMBL255975)Show SMILES CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC3)nc(Cl)nc12 Show InChI InChI=1S/C16H21ClN6O3S/c1-22(2)14(26)11-9(24)10(25)15(27-11)23-6-19-8-12(18-5-7-3-4-7)20-16(17)21-13(8)23/h6-7,9-11,15,24-25H,3-5H2,1-2H3,(H,18,20,21)/t9-,10+,11-,15+/m0/s1 | Reactome pathway
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PubMed
| 30.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372719
(CHEMBL428245)Show SMILES O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)N1CCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C20H20ClIN6O3S/c21-20-25-16(23-8-10-3-1-4-11(22)7-10)12-17(26-20)28(9-24-12)19-14(30)13(29)15(32-19)18(31)27-5-2-6-27/h1,3-4,7,9,13-15,19,29-30H,2,5-6,8H2,(H,23,25,26)/t13-,14+,15-,19+/m0/s1 | Reactome pathway
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| 43.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372725
(CHEMBL256185)Show SMILES CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 Show InChI InChI=1S/C15H19ClN6O3S/c1-21(2)13(25)10-8(23)9(24)14(26-10)22-5-17-7-11(18-6-3-4-6)19-15(16)20-12(7)22/h5-6,8-10,14,23-24H,3-4H2,1-2H3,(H,18,19,20)/t8-,9+,10-,14+/m0/s1 | Reactome pathway
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PC sid
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| Article
PubMed
| 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372724
(CHEMBL255809)Show SMILES CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12 Show InChI InChI=1S/C16H21ClN6O3S/c1-22(2)14(26)11-9(24)10(25)15(27-11)23-6-18-8-12(19-7-4-3-5-7)20-16(17)21-13(8)23/h6-7,9-11,15,24-25H,3-5H2,1-2H3,(H,19,20,21)/t9-,10+,11-,15+/m0/s1 | Reactome pathway
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| 115 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372718
(CHEMBL404235)Show SMILES O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)N1CCCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C21H22ClIN6O3S/c22-21-26-17(24-9-11-4-3-5-12(23)8-11)13-18(27-21)29(10-25-13)20-15(31)14(30)16(33-20)19(32)28-6-1-2-7-28/h3-5,8,10,14-16,20,30-31H,1-2,6-7,9H2,(H,24,26,27)/t14-,15+,16-,20+/m0/s1 | Reactome pathway
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PC cid
PC sid
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| Article
PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372729
(CHEMBL272550)Show SMILES CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(F)c3)nc(Cl)nc12 Show InChI InChI=1S/C19H20ClFN6O3S/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 | Reactome pathway
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PubMed
| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372733
(CHEMBL255596)Show SMILES CN(CCO)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C20H22ClIN6O4S/c1-27(5-6-29)18(32)15-13(30)14(31)19(33-15)28-9-24-12-16(25-20(21)26-17(12)28)23-8-10-3-2-4-11(22)7-10/h2-4,7,9,13-15,19,29-31H,5-6,8H2,1H3,(H,23,25,26)/t13-,14+,15-,19+/m0/s1 | Reactome pathway
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| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372734
(CHEMBL271684)Show SMILES CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(nc(Cl)nc12)N(C)C Show InChI InChI=1S/C14H19ClN6O3S/c1-19(2)10-6-11(18-14(15)17-10)21(5-16-6)13-8(23)7(22)9(25-13)12(24)20(3)4/h5,7-9,13,22-23H,1-4H3/t7-,8+,9-,13+/m0/s1 | Reactome pathway
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| 136 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50180197
((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | PDB
Reactome pathway
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| 193 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM21221
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | PDB
Reactome pathway
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CHEMBL
MCE
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PubMed
| 222 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50180197
((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...)Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 223 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50372733
(CHEMBL255596)Show SMILES CN(CCO)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C20H22ClIN6O4S/c1-27(5-6-29)18(32)15-13(30)14(31)19(33-15)28-9-24-12-16(25-20(21)26-17(12)28)23-8-10-3-2-4-11(22)7-10/h2-4,7,9,13-15,19,29-31H,5-6,8H2,1H3,(H,23,25,26)/t13-,14+,15-,19+/m0/s1 | PDB
Reactome pathway
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PubMed
| 237 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Rattus norvegicus) | BDBM50177309
((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H...)Show SMILES CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H20ClIN6O3S/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 | Reactome pathway
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PubMed
| 321 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Binding affinity to rat adenosine A3 receptor |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50372724
(CHEMBL255809)Show SMILES CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)nc(Cl)nc12 Show InChI InChI=1S/C16H21ClN6O3S/c1-22(2)14(26)11-9(24)10(25)15(27-11)23-6-18-8-12(19-7-4-3-5-7)20-16(17)21-13(8)23/h6-7,9-11,15,24-25H,3-5H2,1-2H3,(H,19,20,21)/t9-,10+,11-,15+/m0/s1 | PDB
Reactome pathway
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PubMed
| 345 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372721
(CHEMBL272368)Show SMILES CCN(C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12)c1ccccc1 Show InChI InChI=1S/C25H24ClIN6O3S/c1-2-32(16-9-4-3-5-10-16)23(36)20-18(34)19(35)24(37-20)33-13-29-17-21(30-25(26)31-22(17)33)28-12-14-7-6-8-15(27)11-14/h3-11,13,18-20,24,34-35H,2,12H2,1H3,(H,28,30,31)/t18-,19+,20-,24+/m0/s1 | Reactome pathway
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| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50372730
(CHEMBL255975)Show SMILES CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC3)nc(Cl)nc12 Show InChI InChI=1S/C16H21ClN6O3S/c1-22(2)14(26)11-9(24)10(25)15(27-11)23-6-19-8-12(18-5-7-3-4-7)20-16(17)21-13(8)23/h6-7,9-11,15,24-25H,3-5H2,1-2H3,(H,18,20,21)/t9-,10+,11-,15+/m0/s1 | PDB
Reactome pathway
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PubMed
| 404 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372726
(CHEMBL255976)Show SMILES COCCNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)N(C)C Show InChI InChI=1S/C15H21ClN6O4S/c1-21(2)13(25)10-8(23)9(24)14(27-10)22-6-18-7-11(17-4-5-26-3)19-15(16)20-12(7)22/h6,8-10,14,23-24H,4-5H2,1-3H3,(H,17,19,20)/t8-,9+,10-,14+/m0/s1 | Reactome pathway
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PubMed
| 425 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372720
(CHEMBL406911)Show SMILES O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)N1CCCCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C22H24ClIN6O3S/c23-22-27-18(25-10-12-5-4-6-13(24)9-12)14-19(28-22)30(11-26-14)21-16(32)15(31)17(34-21)20(33)29-7-2-1-3-8-29/h4-6,9,11,15-17,21,31-32H,1-3,7-8,10H2,(H,25,27,28)/t15-,16+,17-,21+/m0/s1 | Reactome pathway
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| 565 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372732
(CHEMBL272155)Show SMILES CN1CCN(CC1)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C22H25ClIN7O3S/c1-29-5-7-30(8-6-29)20(34)17-15(32)16(33)21(35-17)31-11-26-14-18(27-22(23)28-19(14)31)25-10-12-3-2-4-13(24)9-12/h2-4,9,11,15-17,21,32-33H,5-8,10H2,1H3,(H,25,27,28)/t15-,16+,17-,21+/m0/s1 | Reactome pathway
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PubMed
| 667 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372722
(CHEMBL403584)Show SMILES CCCN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C21H24ClIN6O3S/c1-3-7-28(2)19(32)16-14(30)15(31)20(33-16)29-10-25-13-17(26-21(22)27-18(13)29)24-9-11-5-4-6-12(23)8-11/h4-6,8,10,14-16,20,30-31H,3,7,9H2,1-2H3,(H,24,26,27)/t14-,15+,16-,20+/m0/s1 | Reactome pathway
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PubMed
| 727 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372723
(CHEMBL255597)Show SMILES CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C17H23ClN6O3S/c1-23(2)15(27)12-10(25)11(26)16(28-12)24-7-19-9-13(20-8-5-3-4-6-8)21-17(18)22-14(9)24/h7-8,10-12,16,25-26H,3-6H2,1-2H3,(H,20,21,22)/t10-,11+,12-,16+/m0/s1 | Reactome pathway
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| 837 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372731
(CHEMBL271730)Show SMILES O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)N1CCSCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C21H22ClIN6O3S2/c22-21-26-17(24-9-11-2-1-3-12(23)8-11)13-18(27-21)29(10-25-13)20-15(31)14(30)16(34-20)19(32)28-4-6-33-7-5-28/h1-3,8,10,14-16,20,30-31H,4-7,9H2,(H,24,26,27)/t14-,15+,16-,20+/m0/s1 | Reactome pathway
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| 867 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50372717
(CHEMBL271732)Show SMILES O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)N1CCC(O)CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C22H24ClIN6O4S/c23-22-27-18(25-9-11-2-1-3-12(24)8-11)14-19(28-22)30(10-26-14)21-16(33)15(32)17(35-21)20(34)29-6-4-13(31)5-7-29/h1-3,8,10,13,15-17,21,31-33H,4-7,9H2,(H,25,27,28)/t15-,16+,17-,21+/m0/s1 | Reactome pathway
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| 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM21221
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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CHEMBL
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PC cid
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UniChem
Similars
| Article
PubMed
| 5.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50177307
((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H...)Show SMILES CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H20ClIN6O4/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 | PDB
Reactome pathway
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Similars
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PubMed
| 5.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50177309
((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H...)Show SMILES CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H20ClIN6O3S/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 | PDB
Reactome pathway
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PubMed
| 6.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50177307
((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H...)Show SMILES CN(C)C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H20ClIN6O4/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| 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 |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50177309
((2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H...)Show SMILES CN(C)C(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H20ClIN6O3S/c1-26(2)17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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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 |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM21221
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a |
Ewha Womans University
Curated by ChEMBL
| Assay Description
Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP |
Bioorg Med Chem Lett 18: 1612-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.070
BindingDB Entry DOI: 10.7270/Q2RN38QV |
More data for this
Ligand-Target Pair | |
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