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Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'chung' and Initial = 'sj'   
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))
BDBM50366620
PNG
(RESINIFERATOXIN)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4OC5(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 |r,t:10,35,TLB:23:15:12:24.25.26,THB:16:15:12:24.25.26|
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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0.0426n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247744
PNG
(CHEMBL504725 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccccc4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,37,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H37FO7/c1-21(2)34-17-23(4)36-27(32(34)42-35(43-34,44-36)19-24-10-6-5-7-11-24)15-25(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-26-12-8-9-13-28(26)37/h5-15,23,27,29,32,40H,1,16-20H2,2-4H3/t23-,27+,29-,32-,33-,34+,35?,36-/m1/s1
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0.0730n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247741
PNG
(CHEMBL503101 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4OC5(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)ccc1NS(C)(=O)=O |r,t:10,35,TLB:23:15:12:24.25.26,THB:16:15:12:24.25.26|
Show InChI InChI=1S/C38H43NO10S/c1-22(2)36-18-24(4)38-28(34(36)47-37(48-36,49-38)20-25-10-8-7-9-11-25)15-27(19-35(42)31(38)14-23(3)33(35)41)21-46-32(40)17-26-12-13-29(30(16-26)45-5)39-50(6,43)44/h7-16,24,28,31,34,39,42H,1,17-21H2,2-6H3/t24-,28+,31-,34-,35-,36+,37?,38-/m1/s1
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0.228n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247749
PNG
(CHEMBL510583 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4cc(F)ccc4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-27(32(34)43-35(44-34,45-36)18-23-8-6-5-7-9-23)13-24(17-33(41)29(36)12-21(3)31(33)40)19-42-30(39)15-25-14-26(37)10-11-28(25)38/h5-14,22,27,29,32,41H,1,15-19H2,2-4H3/t22-,27+,29-,32-,33-,34+,35?,36-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247742
PNG
(CHEMBL509154 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(NS(C)(=O)=O)c(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,42,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C37H40FNO9S/c1-21(2)35-17-23(4)37-27(33(35)46-36(47-35,48-37)19-24-9-7-6-8-10-24)14-26(18-34(42)30(37)13-22(3)32(34)41)20-45-31(40)16-25-11-12-29(28(38)15-25)39-49(5,43)44/h6-15,23,27,30,33,39,42H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35+,36?,37-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247748
PNG
(CHEMBL510228 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(F)cc4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-27(32(34)43-35(44-34,45-36)18-23-8-6-5-7-9-23)13-24(17-33(41)29(36)12-21(3)31(33)40)19-42-30(39)14-25-10-11-26(37)15-28(25)38/h5-13,15,22,27,29,32,41H,1,14,16-19H2,2-4H3/t22-,27+,29-,32-,33-,34+,35?,36-/m1/s1
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0.890n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247751
PNG
(CHEMBL449201 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(F)c(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-26(32(34)43-35(44-34,45-36)18-23-8-6-5-7-9-23)13-25(17-33(41)29(36)12-21(3)31(33)40)19-42-30(39)15-24-10-11-27(37)28(38)14-24/h5-14,22,26,29,32,41H,1,15-19H2,2-4H3/t22-,26+,29-,32-,33-,34+,35?,36-/m1/s1
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0.980n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247745
PNG
(CHEMBL455555 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4cccc(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,37,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H37FO7/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-24-9-6-5-7-10-24)15-26(18-33(40)29(36)13-22(3)31(33)39)20-41-30(38)16-25-11-8-12-27(37)14-25/h5-15,23,28-29,32,40H,1,16-20H2,2-4H3/t23-,28+,29-,32-,33-,34+,35?,36-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247750
PNG
(CHEMBL455155 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4c(F)cccc4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-26(32(34)43-35(44-34,45-36)18-23-9-6-5-7-10-23)14-24(17-33(41)29(36)13-21(3)31(33)40)19-42-30(39)15-25-27(37)11-8-12-28(25)38/h5-14,22,26,29,32,41H,1,15-19H2,2-4H3/t22-,26+,29-,32-,33-,34+,35?,36-/m1/s1
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2.69n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247746
PNG
(CHEMBL502769 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(F)cc4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,37,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H37FO7/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-25-8-6-5-7-9-25)15-26(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-24-10-12-27(37)13-11-24/h5-15,23,28-29,32,40H,1,16-20H2,2-4H3/t23-,28+,29-,32-,33-,34+,35?,36-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247747
PNG
(CHEMBL509331 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4cccc(F)c4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-26(32(34)43-35(44-34,45-36)18-23-9-6-5-7-10-23)14-24(17-33(41)28(36)13-21(3)31(33)40)19-42-29(39)15-25-11-8-12-27(37)30(25)38/h5-14,22,26,28,32,41H,1,15-19H2,2-4H3/t22-,26+,28-,32-,33-,34+,35?,36-/m1/s1
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3.53n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247743
PNG
(CHEMBL504206 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(NS(C)(=O)=O)cc4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,41,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C37H41NO9S/c1-22(2)35-18-24(4)37-29(33(35)45-36(46-35,47-37)20-26-9-7-6-8-10-26)16-27(19-34(41)30(37)15-23(3)32(34)40)21-44-31(39)17-25-11-13-28(14-12-25)38-48(5,42)43/h6-16,24,29-30,33,38,41H,1,17-21H2,2-5H3/t24-,29+,30-,33-,34-,35+,36?,37-/m1/s1
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6.81n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247752
PNG
(CHEMBL462654 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4cc(F)cc(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-28(32(34)43-35(44-34,45-36)18-23-8-6-5-7-9-23)13-25(17-33(41)29(36)10-21(3)31(33)40)19-42-30(39)14-24-11-26(37)15-27(38)12-24/h5-13,15,22,28-29,32,41H,1,14,16-19H2,2-4H3/t22-,28+,29-,32-,33-,34+,35?,36-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20287
PNG
(2-[(4-tert-butylphenyl)methyl]-3-({[(3-fluoro-4-me...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H40FN3O4S2/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-36-25(33)28(4,5)6)17-31-26(37)30-16-20-10-13-24(23(29)15-20)32-38(7,34)35/h8-13,15,21,32H,14,16-18H2,1-7H3,(H2,30,31,37)
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23n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Cytidine deaminase (CDA)


(Homo sapiens (Human))
BDBM50367034
PNG
(CHEMBL610997)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1CC=CCNC1=O |r,c:12|
Show InChI InChI=1S/C10H16N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-2,6-9,13-15H,3-5H2,(H,11,16)/t6-,7-,8-,9?/m1/s1
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25n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity for human cytidine deaminase


J Med Chem 48: 658-60 (2005)


Article DOI: 10.1021/jm0496279
BindingDB Entry DOI: 10.7270/Q2M61M1J
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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29n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist effect on 45 [Ca2+] influx in vanilloid receptor expressing CHO cells relative to maximal capsaicin (300 nM) response, weak effect at 30 nM


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
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
Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
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
Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20288
PNG
(2-[(4-tert-butylphenyl)methyl]-3-[1-(3-fluoro-4-me...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=O)Cc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H39FN2O5S/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-36-26(33)28(4,5)6)17-30-25(32)16-20-10-13-24(23(29)15-20)31-37(7,34)35/h8-13,15,21,31H,14,16-18H2,1-7H3,(H,30,32)
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74n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247753
PNG
(CHEMBL506945 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4c(F)c(F)c(F)c(F)c4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,41,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H33F5O7/c1-17(2)34-13-19(4)36-23(32(34)46-35(47-34,48-36)15-20-8-6-5-7-9-20)11-21(14-33(44)24(36)10-18(3)31(33)43)16-45-25(42)12-22-26(37)28(39)30(41)29(40)27(22)38/h5-11,19,23-24,32,44H,1,12-16H2,2-4H3/t19-,23+,24-,32-,33-,34+,35?,36-/m1/s1
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135n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20294
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-[1-(3-fluoro-4-me...)
Show SMILES Cc1ccc(CC(CNC(=O)Cc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H35FN2O5S/c1-17-7-8-19(11-18(17)2)12-21(16-34-25(31)26(3,4)5)15-28-24(30)14-20-9-10-23(22(27)13-20)29-35(6,32)33/h7-11,13,21,29H,12,14-16H2,1-6H3,(H,28,30)
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157n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50144674
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES COc1cc(COC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C27H38N2O6S2/c1-18-8-9-20(12-19(18)2)13-22(17-34-25(30)27(3,4)5)15-28-26(36)35-16-21-10-11-23(24(14-21)33-6)29-37(7,31)32/h8-12,14,22,29H,13,15-17H2,1-7H3,(H,28,36)
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199n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50144667
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(CNC(=S)OCc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H35FN2O5S2/c1-17-7-8-19(11-18(17)2)12-21(16-33-24(30)26(3,4)5)14-28-25(35)34-15-20-9-10-23(22(27)13-20)29-36(6,31)32/h7-11,13,21,29H,12,14-16H2,1-6H3,(H,28,35)
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210n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50144665
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(COC(=O)C(C)(C)C)CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1C
Show InChI InChI=1S/C26H36FN3O5S2/c1-17-7-8-19(11-18(17)2)12-21(16-35-24(31)26(3,4)5)15-30(32)25(36)28-14-20-9-10-23(22(27)13-20)29-37(6,33)34/h7-11,13,21,29,32H,12,14-16H2,1-6H3,(H,28,36)
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212n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50144666
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(COC(=O)C(C)(C)C)CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1C
Show InChI InChI=1S/C26H36ClN3O5S2/c1-17-7-8-19(11-18(17)2)12-20(16-35-24(31)26(3,4)5)15-30(32)25(36)28-14-21-9-10-22(13-23(21)27)29-37(6,33)34/h7-11,13,20,29,32H,12,14-16H2,1-6H3,(H,28,36)
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220n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247754
PNG
(CHEMBL500075 | N-{[(1R,2R,6R,10S,11R,15S,17R)-13-b...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(CNC(=O)Cc4ccc(NS(C)(=O)=O)cc4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,41,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C37H42N2O8S/c1-22(2)35-18-24(4)37-29(33(35)45-36(46-35,47-37)20-26-9-7-6-8-10-26)16-27(19-34(42)30(37)15-23(3)32(34)41)21-38-31(40)17-25-11-13-28(14-12-25)39-48(5,43)44/h6-16,24,29-30,33,39,42H,1,17-21H2,2-5H3,(H,38,40)/t24-,29+,30-,33-,34-,35+,36?,37-/m1/s1
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320n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50144669
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(CNC(=S)OCc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H36N2O5S2/c1-18-7-8-21(13-19(18)2)14-22(17-32-24(29)26(3,4)5)15-27-25(34)33-16-20-9-11-23(12-10-20)28-35(6,30)31/h7-13,22,28H,14-17H2,1-6H3,(H,27,34)
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336n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50144662
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES COc1cc(CNC(=S)N(O)CC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C27H39N3O6S2/c1-18-8-9-20(12-19(18)2)13-22(17-36-25(31)27(3,4)5)16-30(32)26(37)28-15-21-10-11-23(24(14-21)35-6)29-38(7,33)34/h8-12,14,22,29,32H,13,15-17H2,1-7H3,(H,28,37)
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396n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Cytidine deaminase (CDA)


(Homo sapiens (Human))
BDBM50421666
PNG
(CHEMBL2311128 | US9040501, 876404)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(O)NC1=O
Show InChI InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5?,6-,7-,8-/m1/s1
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400n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity for human cytidine deaminase


J Med Chem 48: 658-60 (2005)


Article DOI: 10.1021/jm0496279
BindingDB Entry DOI: 10.7270/Q2M61M1J
More data for this
Ligand-Target Pair
Cytidine deaminase (CDA)


(Homo sapiens (Human))
BDBM50366986
PNG
(CHEMBL607779)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1CCCCNC1=O |r|
Show InChI InChI=1S/C10H18N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h6-9,13-15H,1-5H2,(H,11,16)/t6-,7-,8-,9?/m1/s1
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400n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity for human cytidine deaminase


J Med Chem 48: 658-60 (2005)


Article DOI: 10.1021/jm0496279
BindingDB Entry DOI: 10.7270/Q2M61M1J
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50144668
PNG
(2,2-Dimethyl-propionic acid 2-(4-tert-butyl-benzyl...)
Show SMILES CC(C)(C)C(=O)OCC(CN(O)C(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H40FN3O5S2/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-37-25(33)28(4,5)6)17-32(34)26(38)30-16-20-10-13-24(23(29)15-20)31-39(7,35)36/h8-13,15,21,31,34H,14,16-18H2,1-7H3,(H,30,38)
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405n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist effect against 50 nM capsaicin-induced 45 [Ca2+] influx in vanilloid recptor expressing CHO cells


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50144675
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C27H38N2O6S/c1-18-8-9-20(12-19(18)2)13-22(17-35-26(31)27(3,4)5)16-28-25(30)15-21-10-11-23(24(14-21)34-6)29-36(7,32)33/h8-12,14,22,29H,13,15-17H2,1-7H3,(H,28,30)
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430n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist effect against 50 nM capsaicin-induced 45 [Ca2+] influx in vanilloid recptor expressing CHO cells


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50144676
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(CNC(=S)N(O)Cc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H37N3O5S2/c1-18-7-8-21(13-19(18)2)14-22(17-34-24(30)26(3,4)5)15-27-25(35)29(31)16-20-9-11-23(12-10-20)28-36(6,32)33/h7-13,22,28,31H,14-17H2,1-6H3,(H,27,35)
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481n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50144671
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(CNC(=O)Cc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H36N2O5S/c1-18-7-8-21(13-19(18)2)14-22(17-33-25(30)26(3,4)5)16-27-24(29)15-20-9-11-23(12-10-20)28-34(6,31)32/h7-13,22,28H,14-17H2,1-6H3,(H,27,29)
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500n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist effect against 50 nM capsaicin-induced 45 [Ca2+] influx in vanilloid recptor expressing CHO cells


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50144672
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(CNC(=S)N(O)Cc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H36FN3O5S2/c1-17-7-8-19(11-18(17)2)12-21(16-35-24(31)26(3,4)5)14-28-25(36)30(32)15-20-9-10-23(22(27)13-20)29-37(6,33)34/h7-11,13,21,29,32H,12,14-16H2,1-6H3,(H,28,36)
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546n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50144673
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(COC(=O)C(C)(C)C)CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)cc2F)cc1C
Show InChI InChI=1S/C26H36FN3O5S2/c1-17-7-8-19(11-18(17)2)12-20(16-35-24(31)26(3,4)5)15-30(32)25(36)28-14-21-9-10-22(13-23(21)27)29-37(6,33)34/h7-11,13,20,29,32H,12,14-16H2,1-6H3,(H,28,36)
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620n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50144663
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(COC(=O)C(C)(C)C)CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1C
Show InChI InChI=1S/C26H37N3O5S2/c1-18-7-8-21(13-19(18)2)14-22(17-34-24(30)26(3,4)5)16-29(31)25(35)27-15-20-9-11-23(12-10-20)28-36(6,32)33/h7-13,22,28,31H,14-17H2,1-6H3,(H,27,35)
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1.04E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20461
PNG
((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...)
Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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1.81E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50144664
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(COC(=O)Cc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H35NO6S/c1-18-7-8-21(13-19(18)2)14-22(17-33-25(29)26(3,4)5)16-32-24(28)15-20-9-11-23(12-10-20)27-34(6,30)31/h7-13,22,27H,14-17H2,1-6H3
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1.98E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Cytidine deaminase (CDA)


(Homo sapiens (Human))
BDBM50367350
PNG
(CHEMBL603590)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cccnc1=O |r|
Show InChI InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8?/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity for human cytidine deaminase


J Med Chem 48: 658-60 (2005)


Article DOI: 10.1021/jm0496279
BindingDB Entry DOI: 10.7270/Q2M61M1J
More data for this
Ligand-Target Pair
β-1,4-Galactosyltransferase I (β4GalT)


(Bos taurus (Cattle))
BDBM50072694
PNG
(CHEMBL320104 | N-[4,5-Dihydroxy-6-hydroxymethyl-2-...)
Show SMILES COc1ccc2cc(OC3OC(CO)C(O)C(O)C3NC(C)=O)ccc2c1
Show InChI InChI=1S/C19H23NO7/c1-10(22)20-16-18(24)17(23)15(9-21)27-19(16)26-14-6-4-11-7-13(25-2)5-3-12(11)8-14/h3-8,15-19,21,23-24H,9H2,1-2H3,(H,20,22)
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3.50E+3n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition recombinant bovine beta -1,4 -galactosyl transferase (beta-1,4-GalT)


Bioorg Med Chem Lett 8: 3359-64 (1999)


BindingDB Entry DOI: 10.7270/Q2GT5MB2
More data for this
Ligand-Target Pair
β-1,4-Galactosyltransferase I (β4GalT)


(Bos taurus (Cattle))
BDBM50072688
PNG
(CHEMBL111972 | N-[2-(6-Bromo-naphthalen-2-yloxy)-4...)
Show SMILES CC(=O)NC1C(O)C(O)C(CO)OC1Oc1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C18H20BrNO6/c1-9(22)20-15-17(24)16(23)14(8-21)26-18(15)25-13-5-3-10-6-12(19)4-2-11(10)7-13/h2-7,14-18,21,23-24H,8H2,1H3,(H,20,22)
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7.60E+3n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition recombinant bovine beta -1,4 -galactosyl transferase (beta-1,4-GalT)


Bioorg Med Chem Lett 8: 3359-64 (1999)


BindingDB Entry DOI: 10.7270/Q2GT5MB2
More data for this
Ligand-Target Pair
N-acetyllactosaminide alpha-1,3-galactosyltransferase


(Sus scrofa)
BDBM50072692
PNG
(CHEMBL2303732 | N-[2-(6-Bromo-naphthalen-2-yloxy)-...)
Show SMILES CC(=O)N[C@H]1[C@@H](O)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](CO)O[C@H]1Oc1ccc2cc(Br)ccc2c1 |r|
Show InChI InChI=1S/C24H30BrNO11/c1-10(29)26-17-19(31)22(37-24-21(33)20(32)18(30)15(8-27)35-24)16(9-28)36-23(17)34-14-5-3-11-6-13(25)4-2-12(11)7-14/h2-7,15-24,27-28,30-33H,8-9H2,1H3,(H,26,29)/t15-,16-,17-,18-,19+,20-,21-,22+,23+,24-/m0/s1
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9.20E+3n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition porcine alpha -1,3 -galactosyl transferase (alpha-1,3-GalT)


Bioorg Med Chem Lett 8: 3359-64 (1999)


BindingDB Entry DOI: 10.7270/Q2GT5MB2
More data for this
Ligand-Target Pair
β-1,4-Galactosyltransferase I (β4GalT)


(Bos taurus (Cattle))
BDBM50072689
PNG
(CHEMBL112241 | N-[4,5-Dihydroxy-6-hydroxymethyl-2-...)
Show SMILES CC(=O)NC1C(O)C(O)C(CO)OC1Oc1ccc2ccccc2c1
Show InChI InChI=1S/C18H21NO6/c1-10(21)19-15-17(23)16(22)14(9-20)25-18(15)24-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14-18,20,22-23H,9H2,1H3,(H,19,21)
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9.50E+3n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition recombinant bovine beta -1,4 -galactosyl transferase (beta-1,4-GalT)


Bioorg Med Chem Lett 8: 3359-64 (1999)


BindingDB Entry DOI: 10.7270/Q2GT5MB2
More data for this
Ligand-Target Pair
β-1,4-Galactosyltransferase I (β4GalT)


(Bos taurus (Cattle))
BDBM50072693
PNG
(CHEMBL114323 | N-[4,5-Dihydroxy-6-hydroxymethyl-2-...)
Show SMILES CC(=O)NC1C(O)C(O)C(CO)OC1Oc1cccc2ccccc12
Show InChI InChI=1S/C18H21NO6/c1-10(21)19-15-17(23)16(22)14(9-20)25-18(15)24-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-18,20,22-23H,9H2,1H3,(H,19,21)
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2.20E+4n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition recombinant bovine beta -1,4 -galactosyl transferase (beta-1,4-GalT)


Bioorg Med Chem Lett 8: 3359-64 (1999)


BindingDB Entry DOI: 10.7270/Q2GT5MB2
More data for this
Ligand-Target Pair
N-acetyllactosaminide alpha-1,3-galactosyltransferase


(Sus scrofa)
BDBM50072690
PNG
(CHEMBL326048 | N-[5-(4-Amino-3,5-dihydroxy-6-hydro...)
Show SMILES COC1OC(CO)C(OC2OC(CO)C(O)C(N)C2O)C(O)C1NC(C)=O
Show InChI InChI=1S/C15H28N2O10/c1-5(20)17-9-12(23)13(7(4-19)26-14(9)24-2)27-15-11(22)8(16)10(21)6(3-18)25-15/h6-15,18-19,21-23H,3-4,16H2,1-2H3,(H,17,20)
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1.04E+5n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition porcine alpha -1,3 -galactosyl transferase (alpha-1,3-GalT) at 0.2 mM concentration


Bioorg Med Chem Lett 8: 3359-64 (1999)


BindingDB Entry DOI: 10.7270/Q2GT5MB2
More data for this
Ligand-Target Pair
β-1,4-Galactosyltransferase I (β4GalT)


(Bos taurus (Cattle))
BDBM50072695
PNG
(CHEMBL115776 | N-(5-Amino-2-benzyloxy-4-hydroxy-6-...)
Show SMILES CC(=O)NC1C(O)C(N)C(CO)OC1OCc1ccccc1
Show InChI InChI=1S/C15H22N2O5/c1-9(19)17-13-14(20)12(16)11(7-18)22-15(13)21-8-10-5-3-2-4-6-10/h2-6,11-15,18,20H,7-8,16H2,1H3,(H,17,19)
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8.50E+5n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition recombinant bovine beta -1,4 -galactosyl transferase (beta-1,4-GalT)


Bioorg Med Chem Lett 8: 3359-64 (1999)


BindingDB Entry DOI: 10.7270/Q2GT5MB2
More data for this
Ligand-Target Pair
β-1,4-Galactosyltransferase I (β4GalT)


(Bos taurus (Cattle))
BDBM50072691
PNG
(CHEMBL2303731 | N-[2-(3,5-Dihydroxy-2-hydroxymethy...)
Show SMILES CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H](CS)[C@@H](O)[C@H](O)[C@@H]2NC(C)=O)[C@@H]1O |r|
Show InChI InChI=1S/C15H27NO10S/c1-5(18)16-8-11(21)9(19)7(4-27)25-14(8)26-13-10(20)6(3-17)24-15(23-2)12(13)22/h6-15,17,19-22,27H,3-4H2,1-2H3,(H,16,18)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m0/s1
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1.00E+6n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition recombinant bovine beta -1,4 -galactosyl transferase (beta-1,4-GalT)


Bioorg Med Chem Lett 8: 3359-64 (1999)


BindingDB Entry DOI: 10.7270/Q2GT5MB2
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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n/an/a 7.80n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist effect against 50 nM capsaicin-induced 45 [Ca2+] influx in vanilloid recptor expressing CHO cells


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20287
PNG
(2-[(4-tert-butylphenyl)methyl]-3-({[(3-fluoro-4-me...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H40FN3O4S2/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-36-25(33)28(4,5)6)17-31-26(37)30-16-20-10-13-24(23(29)15-20)32-38(7,34)35/h8-13,15,21,32H,14,16-18H2,1-7H3,(H2,30,31,37)
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n/an/a 52n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist effect on 45 [Ca2+] influx in vanilloid receptor expressing CHO cells relative to maximal capsaicin (300 nM) response


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
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