Found 257 hits with Last Name = 'ohno' and Initial = 'm' 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 |
|---|
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50064089
(4-hydroxymethyl-7,10-diisopropyl-8,10,13-trimethyl...)Show SMILES CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(C[C@@H](CO)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r| Show InChI InChI=1S/C28H41N3O2/c1-9-27(6)10-11-28(7,17(4)5)20-13-21-22-18(14-29-24(22)23(20)27)12-19(15-32)30-26(33)25(16(2)3)31(21)8/h9,13-14,16-17,19,25,29,32H,1,10-12,15H2,2-8H3,(H,30,33)/t19-,25-,27-,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta |
J Med Chem 41: 1476-96 (1998)
Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50004566
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) | PDB
MMDB
NCI pathway
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| Article
PubMed
| 0.350 | -54.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description
Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50004566
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) | PDB
MMDB
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| Article
PubMed
| 0.450 | -53.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description
Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50373326
(CHEMBL444278)Show SMILES CNc1nc(I)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1 | PDB
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| PDB
Article
PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50004566
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) | PDB
MMDB
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| 0.840 | -51.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description
Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50004566
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) | PDB
MMDB
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| Article
PubMed
| 0.910 | -51.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description
Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | 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
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| 1.5 | -50.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description
Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | 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
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| PDB
Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description
Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409757
(CHEMBL2112864)Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H18ClN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1 | PDB
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| Article
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50064090
((S)-2-Decyl-5-hydroxymethyl-1-methyl-1,4,5,6-tetra...)Show InChI InChI=1S/C22H36N2O2/c1-3-4-5-6-7-8-9-10-15-21-22(26)23-19(17-25)16-18-13-11-12-14-20(18)24(21)2/h11-14,19,21,25H,3-10,15-17H2,1-2H3,(H,23,26)/t19-,21?/m0/s1 | PDB
MMDB
NCI pathway
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| CHEMBL
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PC sid
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| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta |
J Med Chem 41: 1476-96 (1998)
Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409764
(CHEMBL2112867)Show SMILES CNc1nc(C)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C14H21N5O8P2/c1-7-17-12(15-2)11-13(18-7)19(6-16-11)9-3-10(27-29(23,24)25)14(4-8(9)14)5-26-28(20,21)22/h6,8-10H,3-5H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t8-,9+,10+,14+/m1/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50171475
(CHEMBL190288 | {3-[2-(Diphenyl-ethanesulfonyl)-eth...)Show SMILES CC(c1ccccc1)(c1ccccc1)S(=O)(=O)CCc1c(CO)oc2c(OCC(O)=O)cccc12 Show InChI InChI=1S/C27H26O7S/c1-27(19-9-4-2-5-10-19,20-11-6-3-7-12-20)35(31,32)16-15-21-22-13-8-14-23(33-18-25(29)30)26(22)34-24(21)17-28/h2-14,28H,15-18H2,1H3,(H,29,30) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane |
J Med Chem 48: 5279-94 (2005)
Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50171478
(CHEMBL190236 | {3-[2-(1,1-Diphenyl-ethylsulfanyl)-...)Show SMILES CC(SCCc1c(CO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H26O5S/c1-27(19-9-4-2-5-10-19,20-11-6-3-7-12-20)33-16-15-21-22-13-8-14-23(31-18-25(29)30)26(22)32-24(21)17-28/h2-14,28H,15-18H2,1H3,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane |
J Med Chem 48: 5279-94 (2005)
Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50134963
(CHEMBL146342 | Phosphoric acid mono-[(1R,5S)-4-(2-...)Show SMILES CNc1nc(Br)nc2n(cnc12)C1CC(OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H18BrN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7?,8?,13+/m1/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50208817
((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(\[#7]=[#6](/[#7])-[#7])ncnc12 Show InChI InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1 | Reactome pathway
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PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description
Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50064091
((2S,5S)-9-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)Show SMILES CCCCCCCCCCc1ccc2C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c2c1 Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-21-17-22(18-28)26-25(29)24(19(2)3)27(4)23(21)16-20/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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Similars
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta |
J Med Chem 41: 1476-96 (1998)
Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | 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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PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description
Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50208817
((2S,3S,4R,5R)-N-ethyl-5-(6-guanidino-9H-purin-9-yl...)Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(\[#7]=[#6](/[#7])-[#7])ncnc12 Show InChI InChI=1S/C13H18N8O4/c1-2-16-11(24)8-6(22)7(23)12(25-8)21-4-19-5-9(20-13(14)15)17-3-18-10(5)21/h3-4,6-8,12,22-23H,2H2,1H3,(H,16,24)(H4,14,15,17,18,20)/t6-,7+,8-,12+/m0/s1 | PDB
Reactome pathway
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PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description
Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | 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
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Article
PubMed
| 9.30 | -45.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description
Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50134966
(CHEMBL343651 | Phosphoric acid mono-[(1R,5S)-4-(6-...)Show SMILES Nc1nc(I)nc2n(cnc12)C1CC(OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C12H16IN5O8P2/c13-11-16-9(14)8-10(17-11)18(4-15-8)6-1-7(26-28(22,23)24)12(2-5(6)12)3-25-27(19,20)21/h4-7H,1-3H2,(H2,14,16,17)(H2,19,20,21)(H2,22,23,24)/t5-,6?,7?,12+/m1/s1 | PDB
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| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM59206
(Adenosine analog, 11)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
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| 12.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description
Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50064092
(5'-hydroxymethyl-2'-isopropyl-1',4,4-trimethyl-(2'...)Show SMILES CC(C)[C@@H]1N(C)c2cc3c(CCCC33CCC(C)(C)CC3)cc2C[C@@H](CO)NC1=O Show InChI InChI=1S/C26H40N2O2/c1-17(2)23-24(30)27-20(16-29)14-19-13-18-7-6-8-26(11-9-25(3,4)10-12-26)21(18)15-22(19)28(23)5/h13,15,17,20,23,29H,6-12,14,16H2,1-5H3,(H,27,30)/t20-,23-/m0/s1 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta |
J Med Chem 41: 1476-96 (1998)
Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | 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 | Reactome pathway
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description
Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50185934
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydr...)Show SMILES NNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C10H13N7O4/c11-7-3-8(14-1-13-7)17(2-15-3)10-5(19)4(18)6(21-10)9(20)16-12/h1-2,4-6,10,18-19H,12H2,(H,16,20)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1 | PDB
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| 16.4 | -44.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description
Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409761
(CHEMBL2112863)Show SMILES CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H19N5O8P2/c1-14-11-10-12(16-5-15-11)18(6-17-10)8-2-9(26-28(22,23)24)13(3-7(8)13)4-25-27(19,20)21/h5-9H,2-4H2,1H3,(H,14,15,16)(H2,19,20,21)(H2,22,23,24)/t7-,8+,9+,13+/m1/s1 | PDB
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| 17.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50064094
(5'-hydroxymethyl-2'-isopropyl-1'-methyl-(2'S,5'S)-...)Show SMILES CC(C)[C@@H]1N(C)c2cc3c(CCCC33CCCCC3)cc2C[C@@H](CO)NC1=O Show InChI InChI=1S/C24H36N2O2/c1-16(2)22-23(28)25-19(15-27)13-18-12-17-8-7-11-24(9-5-4-6-10-24)20(17)14-21(18)26(22)3/h12,14,16,19,22,27H,4-11,13,15H2,1-3H3,(H,25,28)/t19-,22-/m0/s1 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta |
J Med Chem 41: 1476-96 (1998)
Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | 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
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| 21.4 | -43.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description
Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50171477
(CHEMBL191056 | {3-[2-(1,1-Diphenyl-ethylsulfanyl)-...)Show SMILES CC(SCCc1coc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H24O4S/c1-26(20-9-4-2-5-10-20,21-11-6-3-7-12-21)31-16-15-19-17-30-25-22(19)13-8-14-23(25)29-18-24(27)28/h2-14,17H,15-16,18H2,1H3,(H,27,28) | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane |
J Med Chem 48: 5279-94 (2005)
Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50057510
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1 Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1 | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta |
J Med Chem 41: 1476-96 (1998)
Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50134967
(CHEMBL356041 | Phosphoric acid mono-[(1R,5S)-4-(6-...)Show SMILES CNc1nc([Se]C)nc2n(cnc12)C1CC(OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C14H21N5O8P2Se/c1-15-11-10-12(18-13(17-11)30-2)19(6-16-10)8-3-9(27-29(23,24)25)14(4-7(8)14)5-26-28(20,21)22/h6-9H,3-5H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t7-,8?,9?,14+/m1/s1 | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50163021
((2R,3R,4S,5R)-2-(2-Amino-6-methylamino-purin-9-yl)...)Show SMILES CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H16N6O4/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H3,12,13,15,16)/t4-,6-,7-,10-/m1/s1 | Reactome pathway
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description
Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50080390
((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C18H21N5O4/c1-10-4-2-3-5-11(10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1 | PDB
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| 39.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description
Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM59206
(Adenosine analog, 11)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r| Show InChI InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | PDB
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| 41.7 | -42.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
National Institutes of Health
| Assay Description
Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409759
(CHEMBL2112868)Show SMILES CNc1nc(F)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H18FN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1 | PDB
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| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50080390
((2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin...)Show SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C18H21N5O4/c1-10-4-2-3-5-11(10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1 | Reactome pathway
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| 47.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description
Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50171483
(CHEMBL365501 | {3-[2-(Diphenyl-ethanesulfinyl)-eth...)Show SMILES CC(c1ccccc1)(c1ccccc1)S(=O)CCc1c(CO)oc2c(OCC(O)=O)cccc12 Show InChI InChI=1S/C27H26O6S/c1-27(19-9-4-2-5-10-19,20-11-6-3-7-12-20)34(31)16-15-21-22-13-8-14-23(32-18-25(29)30)26(22)33-24(21)17-28/h2-14,28H,15-18H2,1H3,(H,29,30) | PDB
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| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane |
J Med Chem 48: 5279-94 (2005)
Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50064093
((7S,10S)-10-Hydroxymethyl-7-isopropyl-4,4,6-trimet...)Show SMILES CC(C)[C@@H]1N(C)c2cc3c(CCCC3(C)C)cc2C[C@@H](CO)NC1=O Show InChI InChI=1S/C21H32N2O2/c1-13(2)19-20(25)22-16(12-24)10-15-9-14-7-6-8-21(3,4)17(14)11-18(15)23(19)5/h9,11,13,16,19,24H,6-8,10,12H2,1-5H3,(H,22,25)/t16-,19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta |
J Med Chem 41: 1476-96 (1998)
Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50215404
(CHEMBL227235 | [3-(2-iodo-6-methylaminopurin-9-yl)...)Show SMILES CNc1nc(I)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12 Show InChI InChI=1S/C10H16IN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description
Displacement of [3H]MRS2270 from human P2Y1 receptor expressed in Sf9 cells |
J Med Chem 50: 3229-41 (2007)
Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50171472
(CHEMBL190840 | [3-[2-(1,1-Diphenyl-ethylsulfanyl)-...)Show SMILES CC(SCCc1c(CCCO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H30O5S/c1-29(21-10-4-2-5-11-21,22-12-6-3-7-13-22)35-19-17-23-24-14-8-15-26(33-20-27(31)32)28(24)34-25(23)16-9-18-30/h2-8,10-15,30H,9,16-20H2,1H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane |
J Med Chem 48: 5279-94 (2005)
Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50121987
(CHEMBL153254 | [3-(2-Chloro-6-methylamino-purin-9-...)Show SMILES CNc1nc(Cl)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12 Show InChI InChI=1S/C10H16ClN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description
Displacement of [3H]MRS2270 from human P2Y1 receptor expressed in Sf9 cells |
J Med Chem 50: 3229-41 (2007)
Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50171474
(CHEMBL192662 | [3-[2-(1,1-Diphenyl-ethylsulfanyl)-...)Show SMILES CC(SCCc1c(CCO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H28O5S/c1-28(20-9-4-2-5-10-20,21-11-6-3-7-12-21)34-18-16-22-23-13-8-14-25(32-19-26(30)31)27(23)33-24(22)15-17-29/h2-14,29H,15-19H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane |
J Med Chem 48: 5279-94 (2005)
Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM59208
(Adenosine analog, 13)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 |r| Show InChI InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-7-5-4-6-11(12)2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 78.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description
Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM50171466
(CHEMBL361939 | {3-[2-(2,2-Diphenyl-ethylsulfanyl)-...)Show SMILES OC(=O)COc1cccc2c(CCSCC(c3ccccc3)c3ccccc3)coc12 Show InChI InChI=1S/C26H24O4S/c27-25(28)17-29-24-13-7-12-22-21(16-30-26(22)24)14-15-31-18-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,16,23H,14-15,17-18H2,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane |
J Med Chem 48: 5279-94 (2005)
Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC |
More data for this
Ligand-Target Pair | |
Protein kinase C delta type
(Homo sapiens (Human)) | BDBM50057511
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23 Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta |
J Med Chem 41: 1476-96 (1998)
Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8 |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409758
(CHEMBL2112869)Show SMILES CCCCCCc1nc(NC)c2ncn([C@H]3C[C@H](OP(O)(O)=O)[C@]4(COP(O)(O)=O)C[C@H]34)c2n1 Show InChI InChI=1S/C19H31N5O8P2/c1-3-4-5-6-7-15-22-17(20-2)16-18(23-15)24(11-21-16)13-8-14(32-34(28,29)30)19(9-12(13)19)10-31-33(25,26)27/h11-14H,3-10H2,1-2H3,(H,20,22,23)(H2,25,26,27)(H2,28,29,30)/t12-,13+,14+,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM50171466
(CHEMBL361939 | {3-[2-(2,2-Diphenyl-ethylsulfanyl)-...)Show SMILES OC(=O)COc1cccc2c(CCSCC(c3ccccc3)c3ccccc3)coc12 Show InChI InChI=1S/C26H24O4S/c27-25(28)17-29-24-13-7-12-22-21(16-30-26(22)24)14-15-31-18-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,16,23H,14-15,17-18H2,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane |
J Med Chem 48: 5279-94 (2005)
Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC |
More data for this
Ligand-Target Pair | |
Thromboxane A2 receptor
(Homo sapiens (Human)) | BDBM50171465
(CHEMBL190708 | [3-(2-Benzhydrylsulfanyl-ethyl)-2-h...)Show SMILES OCc1oc2c(OCC(O)=O)cccc2c1CCSC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H24O5S/c27-16-23-20(21-12-7-13-22(25(21)31-23)30-17-24(28)29)14-15-32-26(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,26-27H,14-17H2,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Toray Industries Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane |
J Med Chem 48: 5279-94 (2005)
Article DOI: 10.1021/jm050194z
BindingDB Entry DOI: 10.7270/Q2J67GGC |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50409762
(CHEMBL2112865)Show SMILES CNc1nc(SC)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C14H21N5O8P2S/c1-15-11-10-12(18-13(17-11)30-2)19(6-16-10)8-3-9(27-29(23,24)25)14(4-7(8)14)5-26-28(20,21)22/h6-9H,3-5H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t7-,8+,9+,14+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells |
J Med Chem 46: 4974-87 (2003)
Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D |
More data for this
Ligand-Target Pair | |
P2Y purinoceptor 1
(Homo sapiens (Human)) | BDBM50215406
((1'R,2'S,4'S,5'S)-4-(2-ethynyl-6-methylaminopurin-...)Show SMILES CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C#C Show InChI InChI=1S/C15H19N5O8P2/c1-3-11-18-13(16-2)12-14(19-11)20(7-17-12)9-4-10(28-30(24,25)26)15(5-8(9)15)6-27-29(21,22)23/h1,7-10H,4-6H2,2H3,(H,16,18,19)(H2,21,22,23)(H2,24,25,26)/t8-,9+,10+,15+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description
Displacement of [3H]MRS2270 from human P2Y1 receptor expressed in Sf9 cells |
J Med Chem 50: 3229-41 (2007)
Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM59208
(Adenosine analog, 13)Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 |r| Show InChI InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-25-13-17(23-9-24-18(13)26)22-8-12-7-5-4-6-11(12)2/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
| Assay Description
Binding affinity of ligand at human adenosine receptors expressed in CHO cell. |
Chem Biol 12: 237-47 (2005)
Article DOI: 10.1016/j.chembiol.2004.12.010
BindingDB Entry DOI: 10.7270/Q2P26WK5 |
More data for this
Ligand-Target Pair | |
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