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Compile Data Set for Download or QSAR

Found 474 hits with Last Name = 'kim' and Initial = 'hd'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50052442
PNG
((4-Hydroxy-3-methoxy-phenyl)-acetic acid (2R,3S,3a...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O
Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding to Rat Vanilloid receptor 1 (VR1) expressing CHO cells compared to capsacin


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50180197
PNG
((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
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
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0.380n/an/an/an/an/an/an/an/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
PNG
((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
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1.40n/an/an/an/an/an/an/an/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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50196343
PNG
(2,2-Dimethyl-propionic acid 2-(4-tert-butyl-benzyl...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)ccc1O
Show InChI InChI=1S/C28H40N2O4S/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-34-25(32)28(4,5)6)17-30-26(35)29-16-20-10-13-23(31)24(15-20)33-7/h8-13,15,21,31H,14,16-18H2,1-7H3,(H2,29,30,35)
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6.35n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20293
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-({[(3-fluoro-4-me...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H36FN3O4S2/c1-17-7-8-19(11-18(17)2)12-21(16-34-24(31)26(3,4)5)15-29-25(35)28-14-20-9-10-23(22(27)13-20)30-36(6,32)33/h7-11,13,21,30H,12,14-16H2,1-6H3,(H2,28,29,35)
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7.80n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50372727
PNG
(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
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9.32n/an/an/an/an/an/an/an/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
PNG
((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
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
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15.5n/an/an/an/an/an/an/an/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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50196337
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1O
Show InChI InChI=1S/C26H36N2O4S/c1-17-7-8-19(11-18(17)2)12-21(16-32-24(30)26(3,4)5)15-28-25(33)27-14-20-9-10-22(29)23(13-20)31-6/h7-11,13,21,29H,12,14-16H2,1-6H3,(H2,27,28,33)
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17.4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50372728
PNG
(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
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21.3n/an/an/an/an/an/an/an/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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130546
PNG
(2,2-Dimethyl-propionic acid 2-(4-tert-butyl-benzyl...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C29H43N3O5S2/c1-28(2,3)23-12-9-20(10-13-23)15-22(19-37-26(33)29(4,5)6)18-31-27(38)30-17-21-11-14-24(25(16-21)36-7)32-39(8,34)35/h9-14,16,22,32H,15,17-19H2,1-8H3,(H2,30,31,38)
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25.2n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50177307
PNG
((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
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
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29n/an/an/an/an/an/an/an/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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130542
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H37N3O4S2/c1-18-7-8-21(13-19(18)2)14-22(17-33-24(30)26(3,4)5)16-28-25(34)27-15-20-9-11-23(12-10-20)29-35(6,31)32/h7-13,22,29H,14-17H2,1-6H3,(H2,27,28,34)
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29.3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50372730
PNG
(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
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30.7n/an/an/an/an/an/an/an/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
PNG
(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
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43.4n/an/an/an/an/an/an/an/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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130548
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C27H39N3O5S2/c1-18-8-9-20(12-19(18)2)13-22(17-35-25(31)27(3,4)5)16-29-26(36)28-15-21-10-11-23(24(14-21)34-6)30-37(7,32)33/h8-12,14,22,30H,13,15-17H2,1-7H3,(H2,28,29,36)
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49n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20293
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-({[(3-fluoro-4-me...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H36FN3O4S2/c1-17-7-8-19(11-18(17)2)12-21(16-34-24(31)26(3,4)5)15-29-25(35)28-14-20-9-10-23(22(27)13-20)30-36(6,32)33/h7-11,13,21,30H,12,14-16H2,1-6H3,(H2,28,29,35)
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54n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130540
PNG
(2,2-Dimethyl-propionic acid 2-(4-tert-butyl-benzyl...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)cc1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H41N3O4S2/c1-27(2,3)23-12-8-20(9-13-23)16-22(19-35-25(32)28(4,5)6)18-30-26(36)29-17-21-10-14-24(15-11-21)31-37(7,33)34/h8-15,22,31H,16-19H2,1-7H3,(H2,29,30,36)
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64n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130542
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H37N3O4S2/c1-18-7-8-21(13-19(18)2)14-22(17-33-24(30)26(3,4)5)16-28-25(34)27-15-20-9-11-23(12-10-20)29-35(6,31)32/h7-13,22,29H,14-17H2,1-6H3,(H2,27,28,34)
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67n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130544
PNG
(Benzoic acid 2-(4-tert-butyl-benzyl)-3-[3-(4-metha...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)c2ccccc2)Cc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C31H39N3O5S2/c1-31(2,3)26-14-11-22(12-15-26)17-24(21-39-29(35)25-9-7-6-8-10-25)20-33-30(40)32-19-23-13-16-27(28(18-23)38-4)34-41(5,36)37/h6-16,18,24,34H,17,19-21H2,1-5H3,(H2,32,33,40)
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77.2n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130540
PNG
(2,2-Dimethyl-propionic acid 2-(4-tert-butyl-benzyl...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)cc1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H41N3O4S2/c1-27(2,3)23-12-8-20(9-13-23)16-22(19-35-25(32)28(4,5)6)18-30-26(36)29-17-21-10-14-24(15-11-21)31-37(7,33)34/h8-15,22,31H,16-19H2,1-7H3,(H2,29,30,36)
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86n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130553
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES CCS(=O)(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C27H39N3O4S2/c1-7-36(32,33)30-24-12-10-21(11-13-24)16-28-26(35)29-17-23(18-34-25(31)27(4,5)6)15-22-9-8-19(2)20(3)14-22/h8-14,23,30H,7,15-18H2,1-6H3,(H2,28,29,35)
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108n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50372725
PNG
(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
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109n/an/an/an/an/an/an/an/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
PNG
(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
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115n/an/an/an/an/an/an/an/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
PNG
(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
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117n/an/an/an/an/an/an/an/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
PNG
(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
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121n/an/an/an/an/an/an/an/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
PNG
(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
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126n/an/an/an/an/an/an/an/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
PNG
(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
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136n/an/an/an/an/an/an/an/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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130552
PNG
(Benzoic acid 2-(3,4-dimethyl-benzyl)-3-[3-(4-metha...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)c2ccccc2)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C29H35N3O5S2/c1-20-10-11-22(14-21(20)2)15-24(19-37-28(33)25-8-6-5-7-9-25)18-31-29(38)30-17-23-12-13-26(27(16-23)36-3)32-39(4,34)35/h5-14,16,24,32H,15,17-19H2,1-4H3,(H2,30,31,38)
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148n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50180197
PNG
((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
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
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193n/an/an/an/an/an/an/an/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
PNG
((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
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222n/an/an/an/an/an/an/an/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
PNG
((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
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
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223n/an/an/an/an/an/an/an/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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130539
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES CC(C)S(=O)(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C28H41N3O4S2/c1-19(2)37(33,34)31-25-12-10-22(11-13-25)16-29-27(36)30-17-24(18-35-26(32)28(5,6)7)15-23-9-8-20(3)21(4)14-23/h8-14,19,24,31H,15-18H2,1-7H3,(H2,29,30,36)
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227n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50372733
PNG
(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
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237n/an/an/an/an/an/an/an/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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130545
PNG
(Benzoic acid 2-(4-tert-butyl-benzyl)-3-[3-(4-metha...)
Show SMILES CC(C)(C)c1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C30H37N3O4S2/c1-30(2,3)26-14-10-22(11-15-26)18-24(21-37-28(34)25-8-6-5-7-9-25)20-32-29(38)31-19-23-12-16-27(17-13-23)33-39(4,35)36/h5-17,24,33H,18-21H2,1-4H3,(H2,31,32,38)
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239n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130553
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES CCS(=O)(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C27H39N3O4S2/c1-7-36(32,33)30-24-12-10-21(11-13-24)16-28-26(35)29-17-23(18-34-25(31)27(4,5)6)15-22-9-8-19(2)20(3)14-22/h8-14,23,30H,7,15-18H2,1-6H3,(H2,28,29,35)
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309n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130543
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES CCCS(=O)(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C28H41N3O4S2/c1-7-14-37(33,34)31-25-12-10-22(11-13-25)17-29-27(36)30-18-24(19-35-26(32)28(4,5)6)16-23-9-8-20(2)21(3)15-23/h8-13,15,24,31H,7,14,16-19H2,1-6H3,(H2,29,30,36)
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313n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50177309
PNG
((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
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
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321n/an/an/an/an/an/an/an/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
PNG
(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
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345n/an/an/an/an/an/an/an/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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130555
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2cccc(NS(C)(=O)=O)c2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H37N3O4S2/c1-18-10-11-20(12-19(18)2)13-22(17-33-24(30)26(3,4)5)16-28-25(34)27-15-21-8-7-9-23(14-21)29-35(6,31)32/h7-12,14,22,29H,13,15-17H2,1-6H3,(H2,27,28,34)
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355n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50372721
PNG
(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
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398n/an/an/an/an/an/an/an/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
PNG
(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
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404n/an/an/an/an/an/an/an/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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130556
PNG
(Benzoic acid 2-(3,4-dimethyl-benzyl)-3-[3-(4-metha...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)c2ccccc2)cc1C
Show InChI InChI=1S/C28H33N3O4S2/c1-20-9-10-23(15-21(20)2)16-24(19-35-27(32)25-7-5-4-6-8-25)18-30-28(36)29-17-22-11-13-26(14-12-22)31-37(3,33)34/h4-15,24,31H,16-19H2,1-3H3,(H2,29,30,36)
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410n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50372726
PNG
(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
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425n/an/an/an/an/an/an/an/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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20284
PNG
(CHEMBL391997 | CPZ | Capsazepine | N-[2-(4-chlorop...)
Show SMILES Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
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520n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50372720
PNG
(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
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565n/an/an/an/an/an/an/an/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
PNG
(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
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667n/an/an/an/an/an/an/an/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
PNG
(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
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727n/an/an/an/an/an/an/an/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
PNG
(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
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837n/an/an/an/an/an/an/an/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
PNG
(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
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867n/an/an/an/an/an/an/an/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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130543
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES CCCS(=O)(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C28H41N3O4S2/c1-7-14-37(33,34)31-25-12-10-22(11-13-25)17-29-27(36)30-18-24(19-35-26(32)28(4,5)6)16-23-9-8-20(2)21(3)15-23/h8-13,15,24,31H,7,14,16-19H2,1-6H3,(H2,29,30,36)
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940n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
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