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Compile Data Set for Download or QSAR

Found 619 hits with Last Name = 'thorat' and Initial = 's'   
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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434903
PNG
(CHEMBL2385223)
Show SMILES CC(C(=O)NCc1ccc(nc1OCc1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C24H23F4N3O4S/c1-15(17-8-10-20(19(25)12-17)31-36(2,33)34)22(32)29-13-18-9-11-21(24(26,27)28)30-23(18)35-14-16-6-4-3-5-7-16/h3-12,15,31H,13-14H2,1-2H3,(H,29,32)
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0.00100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of N-arachidonoyldopamine-induced activity after 5 mins by FLIPR a...


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235055
PNG
(CHEMBL4095355)
Show SMILES CCN(CC)C1CCC(C)(CC1)C(=O)Nc1nc2c(OC)ccc(N3CCOCC3)c2s1
Show InChI InChI=1S/C24H36N4O3S/c1-5-27(6-2)17-9-11-24(3,12-10-17)22(29)26-23-25-20-19(30-4)8-7-18(21(20)32-23)28-13-15-31-16-14-28/h7-8,17H,5-6,9-16H2,1-4H3,(H,25,26,29)
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0.200n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398493
PNG
(CHEMBL2177430)
Show SMILES C[C@@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/s2
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0.230n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of N-arachidonoyldopamine-induced activity after 5 mins by FLIPR a...


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235053
PNG
(CHEMBL4064207)
Show SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(C)(O)CC3)nc12
Show InChI InChI=1S/C21H29N3O4S/c1-20(6-8-21(2,26)9-7-20)18(25)23-19-22-16-15(27-3)5-4-14(17(16)29-19)24-10-12-28-13-11-24/h4-5,26H,6-13H2,1-3H3,(H,22,23,25)
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0.25n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434932
PNG
(CHEMBL2385408)
Show SMILES CC(C)COc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1/C21H25F4N3O4S/c1-12(2)11-32-20-15(6-8-18(27-20)21(23,24)25)10-26-19(29)13(3)14-5-7-17(16(22)9-14)28-33(4,30)31/h5-9,12-13,28H,10-11H2,1-4H3,(H,26,29)
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0.290n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of N-arachidonoyldopamine-induced activity after 5 mins by FLIPR a...


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434913
PNG
(CHEMBL2385246)
Show SMILES CC(C(=O)NCc1ccc(nc1OC[C@@H]1C[C@H]1C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C22H25F4N3O4S/c1-12-8-16(12)11-33-21-15(5-7-19(28-21)22(24,25)26)10-27-20(30)13(2)14-4-6-18(17(23)9-14)29-34(3,31)32/h4-7,9,12-13,16,29H,8,10-11H2,1-3H3,(H,27,30)/t12-,13?,16+/s2
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50011294
PNG
(A2A | Ro-4494351 | Ro-4494351-002 | Ro-4494351000 ...)
Show SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12
Show InChI InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)
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0.300n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434906
PNG
(CHEMBL2385220)
Show SMILES CC(C(=O)NCc1ccc(nc1OCCC1CCCCN1C(=O)OC(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C29H38F4N4O6S/c1-18(19-9-11-23(22(30)16-19)36-44(5,40)41)25(38)34-17-20-10-12-24(29(31,32)33)35-26(20)42-15-13-21-8-6-7-14-37(21)27(39)43-28(2,3)4/h9-12,16,18,21,36H,6-8,13-15,17H2,1-5H3,(H,34,38)
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434943
PNG
(CHEMBL2385423)
Show SMILES CCCCOc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1/C21H25F4N3O4S/c1-4-5-10-32-20-15(7-9-18(27-20)21(23,24)25)12-26-19(29)13(2)14-6-8-17(16(22)11-14)28-33(3,30)31/h6-9,11,13,28H,4-5,10,12H2,1-3H3,(H,26,29)
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434911
PNG
(CHEMBL2385248)
Show SMILES CC(C(=O)NCc1ccc(nc1OCC1CCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C22H25F4N3O4S/c1-13(15-6-8-18(17(23)10-15)29-34(2,31)32)20(30)27-11-16-7-9-19(22(24,25)26)28-21(16)33-12-14-4-3-5-14/h6-10,13-14,29H,3-5,11-12H2,1-2H3,(H,27,30)
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434922
PNG
(CHEMBL2385418)
Show SMILES CC(C(=O)NCc1ccc(nc1OC1CCC(CC1)C(F)(F)F)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C24H26F7N3O4S/c1-13(14-3-9-19(18(25)11-14)34-39(2,36)37)21(35)32-12-15-4-10-20(24(29,30)31)33-22(15)38-17-7-5-16(6-8-17)23(26,27)28/h3-4,9-11,13,16-17,34H,5-8,12H2,1-2H3,(H,32,35)
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434941
PNG
(CHEMBL2385426)
Show SMILES CCCCCCOc1nc(ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1/C23H29F4N3O4S/c1-4-5-6-7-12-34-22-17(9-11-20(29-22)23(25,26)27)14-28-21(31)15(2)16-8-10-19(18(24)13-16)30-35(3,32)33/h8-11,13,15,30H,4-7,12,14H2,1-3H3,(H,28,31)/t15-/s2
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0.400n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434910
PNG
(CHEMBL2385249)
Show SMILES CC(C(=O)NCc1ccc(nc1OCC1CCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C23H27F4N3O4S/c1-14(16-7-9-19(18(24)11-16)30-35(2,32)33)21(31)28-12-17-8-10-20(23(25,26)27)29-22(17)34-13-15-5-3-4-6-15/h7-11,14-15,30H,3-6,12-13H2,1-2H3,(H,28,31)
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0.400n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50385670
PNG
(CHEMBL2042399)
Show SMILES C[C@H](C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C21H27FN2O3S/c1-14(16-8-11-19(18(22)12-16)24-28(5,26)27)20(25)23-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,24H,13H2,1-5H3,(H,23,25)/t14-/s2
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0.490n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor expressed in CHO cells assessed as decrease in capsaicin-induced intracellular 45Ca2+ uptake after 1 hr b...


Bioorg Med Chem 20: 215-24 (2011)


Article DOI: 10.1016/j.bmc.2011.11.008
BindingDB Entry DOI: 10.7270/Q2MG7QJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434927
PNG
(CHEMBL2385413)
Show SMILES CCCCC(CCC)Oc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1/C25H33F4N3O4S/c1-5-7-9-19(8-6-2)36-24-18(11-13-22(31-24)25(27,28)29)15-30-23(33)16(3)17-10-12-21(20(26)14-17)32-37(4,34)35/h10-14,16,19,32H,5-9,15H2,1-4H3,(H,30,33)
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0.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434903
PNG
(CHEMBL2385223)
Show SMILES CC(C(=O)NCc1ccc(nc1OCc1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C24H23F4N3O4S/c1-15(17-8-10-20(19(25)12-17)31-36(2,33)34)22(32)29-13-18-9-11-21(24(26,27)28)30-23(18)35-14-16-6-4-3-5-7-16/h3-12,15,31H,13-14H2,1-2H3,(H,29,32)
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0.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434902
PNG
(CHEMBL2385224)
Show SMILES CC(C(=O)NCc1ccc(nc1OCCc1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C25H25F4N3O4S/c1-16(18-8-10-21(20(26)14-18)32-37(2,34)35)23(33)30-15-19-9-11-22(25(27,28)29)31-24(19)36-13-12-17-6-4-3-5-7-17/h3-11,14,16,32H,12-13,15H2,1-2H3,(H,30,33)
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0.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434941
PNG
(CHEMBL2385426)
Show SMILES CCCCCCOc1nc(ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1/C23H29F4N3O4S/c1-4-5-6-7-12-34-22-17(9-11-20(29-22)23(25,26)27)14-28-21(31)15(2)16-8-10-19(18(24)13-16)30-35(3,32)33/h8-11,13,15,30H,4-7,12,14H2,1-3H3,(H,28,31)/t15-/s2
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0.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434932
PNG
(CHEMBL2385408)
Show SMILES CC(C)COc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1/C21H25F4N3O4S/c1-12(2)11-32-20-15(6-8-18(27-20)21(23,24)25)10-26-19(29)13(3)14-5-7-17(16(22)9-14)28-33(4,30)31/h5-9,12-13,28H,10-11H2,1-4H3,(H,26,29)
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0.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50241484
PNG
(CHEMBL4095861)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1cccc2NC(=O)COc12)C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O3/c1-13-7-9-30(10-8-13)20-14(5-6-17(29-20)22(23,24)25)11-26-21(32)28-16-4-2-3-15-19(16)33-12-18(31)27-15/h2-6,13H,7-12H2,1H3,(H,27,31)(H2,26,28,32)
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0.630n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cell membranes after 45 mins by scintillation counting method


J Med Chem 60: 8246-8252 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00859
BindingDB Entry DOI: 10.7270/Q2QV3PNP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434942
PNG
(CHEMBL2385424)
Show SMILES CCCCCOc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1/C22H27F4N3O4S/c1-4-5-6-11-33-21-16(8-10-19(28-21)22(24,25)26)13-27-20(30)14(2)15-7-9-18(17(23)12-15)29-34(3,31)32/h7-10,12,14,29H,4-6,11,13H2,1-3H3,(H,27,30)
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0.700n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434909
PNG
(CHEMBL2385250)
Show SMILES CC(C(=O)NCc1ccc(nc1OCC1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C24H29F4N3O4S/c1-15(17-8-10-20(19(25)12-17)31-36(2,33)34)22(32)29-13-18-9-11-21(24(26,27)28)30-23(18)35-14-16-6-4-3-5-7-16/h8-12,15-16,31H,3-7,13-14H2,1-2H3,(H,29,32)
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0.700n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434952
PNG
(CHEMBL2385238)
Show SMILES COc1cc(COc2nc(ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)C(F)(F)F)cc(OC)c1
Show InChI InChI=1/C26H27F4N3O6S/c1-15(17-5-7-22(21(27)11-17)33-40(4,35)36)24(34)31-13-18-6-8-23(26(28,29)30)32-25(18)39-14-16-9-19(37-2)12-20(10-16)38-3/h5-12,15,33H,13-14H2,1-4H3,(H,31,34)
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0.700n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434926
PNG
(CHEMBL2385414)
Show SMILES CC(C)CC(CC(C)C)Oc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1/C26H35F4N3O4S/c1-15(2)11-20(12-16(3)4)37-25-19(8-10-23(32-25)26(28,29)30)14-31-24(34)17(5)18-7-9-22(21(27)13-18)33-38(6,35)36/h7-10,13,15-17,20,33H,11-12,14H2,1-6H3,(H,31,34)
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0.700n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434928
PNG
(CHEMBL2385412)
Show SMILES CCCC(CCC)Oc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1/C24H31F4N3O4S/c1-5-7-18(8-6-2)35-23-17(10-12-21(30-23)24(26,27)28)14-29-22(32)15(3)16-9-11-20(19(25)13-16)31-36(4,33)34/h9-13,15,18,31H,5-8,14H2,1-4H3,(H,29,32)
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0.700n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434931
PNG
(CHEMBL2385409)
Show SMILES CC(C)CCOc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1/C22H27F4N3O4S/c1-13(2)9-10-33-21-16(6-8-19(28-21)22(24,25)26)12-27-20(30)14(3)15-5-7-18(17(23)11-15)29-34(4,31)32/h5-8,11,13-14,29H,9-10,12H2,1-4H3,(H,27,30)
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0.800n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434955
PNG
(CHEMBL2385235)
Show SMILES COc1cccc(COc2nc(ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)C(F)(F)F)c1
Show InChI InChI=1/C25H25F4N3O5S/c1-15(17-7-9-21(20(26)12-17)32-38(3,34)35)23(33)30-13-18-8-10-22(25(27,28)29)31-24(18)37-14-16-5-4-6-19(11-16)36-2/h4-12,15,32H,13-14H2,1-3H3,(H,30,33)
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0.800n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434957
PNG
(CHEMBL2385233)
Show SMILES CC(C(=O)NCc1ccc(nc1OCc1cccc(F)c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C24H22F5N3O4S/c1-14(16-6-8-20(19(26)11-16)32-37(2,34)35)22(33)30-12-17-7-9-21(24(27,28)29)31-23(17)36-13-15-4-3-5-18(25)10-15/h3-11,14,32H,12-13H2,1-2H3,(H,30,33)
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0.800n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434918
PNG
(CHEMBL2385241)
Show SMILES CC(C(=O)NCc1ccc(nc1OC1CCC(C)(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C25H31F4N3O4S/c1-15(16-5-7-20(19(26)13-16)32-37(4,34)35)22(33)30-14-17-6-8-21(25(27,28)29)31-23(17)36-18-9-11-24(2,3)12-10-18/h5-8,13,15,18,32H,9-12,14H2,1-4H3,(H,30,33)
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0.900n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434944
PNG
(CHEMBL2385422)
Show SMILES CCCOc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1/C20H23F4N3O4S/c1-4-9-31-19-14(6-8-17(26-19)20(22,23)24)11-25-18(28)12(2)13-5-7-16(15(21)10-13)27-32(3,29)30/h5-8,10,12,27H,4,9,11H2,1-3H3,(H,25,28)
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0.900n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434924
PNG
(CHEMBL2385416)
Show SMILES CC(C(=O)NCc1ccc(nc1OC1CCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C22H25F4N3O4S/c1-13(14-7-9-18(17(23)11-14)29-34(2,31)32)20(30)27-12-15-8-10-19(22(24,25)26)28-21(15)33-16-5-3-4-6-16/h7-11,13,16,29H,3-6,12H2,1-2H3,(H,27,30)
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0.900n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232062
PNG
(CHEMBL4068507)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C27H31F3N8O3/c1-3-9-37-24-22(25(40)38(10-4-2)26(37)41)32-23(33-24)18-15-31-36(16-18)17-21(39)35-13-11-34(12-14-35)20-7-5-19(6-8-20)27(28,29)30/h5-8,15-16H,3-4,9-14,17H2,1-2H3,(H,32,33)
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0.900n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434930
PNG
(CHEMBL2385410)
Show SMILES CC(C(=O)NCc1ccc(nc1OCCC(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C23H29F4N3O4S/c1-14(15-6-8-18(17(24)12-15)30-35(5,32)33)20(31)28-13-16-7-9-19(23(25,26)27)29-21(16)34-11-10-22(2,3)4/h6-9,12,14,30H,10-11,13H2,1-5H3,(H,28,31)
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0.900n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232044
PNG
(CHEMBL4083317)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1/C26H28F3N7O3/c1-3-9-34-23-21(24(38)35(10-4-2)25(34)39)31-22(32-23)17-12-30-33(15-17)13-16-11-20(37)36(14-16)19-7-5-18(6-8-19)26(27,28)29/h5-8,12,15-16H,3-4,9-11,13-14H2,1-2H3,(H,31,32)
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0.900n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine receptor A2b expressed in HEK293 cells assessed as inhibition of NECA-induced cAMP level preincubated for 15 m...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235043
PNG
(CHEMBL4095424)
Show SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3cccc(F)c3)nc12
Show InChI InChI=1S/C22H24FN3O4S/c1-22(2,30-15-6-4-5-14(23)13-15)20(27)25-21-24-18-17(28-3)8-7-16(19(18)31-21)26-9-11-29-12-10-26/h4-8,13H,9-12H2,1-3H3,(H,24,25,27)
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0.950n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434908
PNG
(CHEMBL2385251)
Show SMILES CC(C(=O)NCc1ccc(nc1OCC1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C25H31F4N3O4S/c1-15-4-6-17(7-5-15)14-36-24-19(9-11-22(31-24)25(27,28)29)13-30-23(33)16(2)18-8-10-21(20(26)12-18)32-37(3,34)35/h8-12,15-17,32H,4-7,13-14H2,1-3H3,(H,30,33)
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1n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434939
PNG
(CHEMBL2385255)
Show SMILES CC\C=C/COc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1/C22H25F4N3O4S/c1-4-5-6-11-33-21-16(8-10-19(28-21)22(24,25)26)13-27-20(30)14(2)15-7-9-18(17(23)12-15)29-34(3,31)32/h5-10,12,14,29H,4,11,13H2,1-3H3,(H,27,30)/b6-5-
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1n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434954
PNG
(CHEMBL2385236)
Show SMILES CC(C(=O)NCc1ccc(nc1OCc1cc(F)cc(F)c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C24H21F6N3O4S/c1-13(15-3-5-20(19(27)9-15)33-38(2,35)36)22(34)31-11-16-4-6-21(24(28,29)30)32-23(16)37-12-14-7-17(25)10-18(26)8-14/h3-10,13,33H,11-12H2,1-2H3,(H,31,34)
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1n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235045
PNG
(CHEMBL4086751)
Show SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3c(F)cccc3F)nc12
Show InChI InChI=1S/C22H23F2N3O4S/c1-22(2,31-18-13(23)5-4-6-14(18)24)20(28)26-21-25-17-16(29-3)8-7-15(19(17)32-21)27-9-11-30-12-10-27/h4-8H,9-12H2,1-3H3,(H,25,26,28)
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1n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232060
PNG
(CHEMBL4095766)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1/C29H30F3N5O4/c1-3-13-35-26-24(27(39)36(14-4-2)28(35)40)33-25(34-26)19-5-11-22(12-6-19)41-17-18-15-23(38)37(16-18)21-9-7-20(8-10-21)29(30,31)32/h5-12,18H,3-4,13-17H2,1-2H3,(H,33,34)
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1n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232044
PNG
(CHEMBL4083317)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC2CN(C(=O)C2)c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1/C26H28F3N7O3/c1-3-9-34-23-21(24(38)35(10-4-2)25(34)39)31-22(32-23)17-12-30-33(15-17)13-16-11-20(37)36(14-16)19-7-5-18(6-8-19)26(27,28)29/h5-8,12,15-16H,3-4,9-11,13-14H2,1-2H3,(H,31,32)
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1n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50235052
PNG
(CHEMBL4099688)
Show SMILES COc1ccc(N2CCOCC2)c2sc(NC(=O)C3(C)CCC(O)CC3)nc12
Show InChI InChI=1S/C20H27N3O4S/c1-20(7-5-13(24)6-8-20)18(25)22-19-21-16-15(26-2)4-3-14(17(16)28-19)23-9-11-27-12-10-23/h3-4,13,24H,5-12H2,1-2H3,(H,21,22,25)
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1.10n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as decrease in CGS-21680/forskolin-induced cAMP level...


J Med Chem 60: 681-694 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01584
BindingDB Entry DOI: 10.7270/Q23J3G74
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434929
PNG
(CHEMBL2385411)
Show SMILES CCC(CC)Oc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1/C22H27F4N3O4S/c1-5-16(6-2)33-21-15(8-10-19(28-21)22(24,25)26)12-27-20(30)13(3)14-7-9-18(17(23)11-14)29-34(4,31)32/h7-11,13,16,29H,5-6,12H2,1-4H3,(H,27,30)
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1.10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434912
PNG
(CHEMBL2385247)
Show SMILES CC(C(=O)NCc1ccc(nc1OCC1CC1(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C23H27F4N3O4S/c1-13(14-5-7-18(17(24)9-14)30-35(4,32)33)20(31)28-11-15-6-8-19(23(25,26)27)29-21(15)34-12-16-10-22(16,2)3/h5-9,13,16,30H,10-12H2,1-4H3,(H,28,31)
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1.10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434914
PNG
(CHEMBL2385082)
Show SMILES CC(C(=O)NCc1ccc(nc1OCC1CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C21H23F4N3O4S/c1-12(14-5-7-17(16(22)9-14)28-33(2,30)31)19(29)26-10-15-6-8-18(21(23,24)25)27-20(15)32-11-13-3-4-13/h5-9,12-13,28H,3-4,10-11H2,1-2H3,(H,26,29)
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1.10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50232058
PNG
(CHEMBL4092455)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC(O)C2CN(C(=O)C2)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1/C27H30F3N7O4/c1-3-8-35-24-22(25(40)36(9-4-2)26(35)41)32-23(33-24)17-12-31-34(13-17)15-20(38)16-10-21(39)37(14-16)19-7-5-6-18(11-19)27(28,29)30/h5-7,11-13,16,20,38H,3-4,8-10,14-15H2,1-2H3,(H,32,33)
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1.20n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine receptor A2b expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting met...


Eur J Med Chem 127: 986-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.007
BindingDB Entry DOI: 10.7270/Q2571F7G
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50242131
PNG
(CHEMBL4087158)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1cnn(CC#Cc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C21H17F3N6O2/c1-2-9-30-19(31)16-18(28-20(30)32)27-17(26-16)14-11-25-29(12-14)10-3-4-13-5-7-15(8-6-13)21(22,23)24/h5-8,11-12H,2,9-10H2,1H3,(H,26,27)(H,28,32)
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1.30n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins


Eur J Med Chem 134: 218-229 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.014
BindingDB Entry DOI: 10.7270/Q2VH5R0J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434923
PNG
(CHEMBL2385417)
Show SMILES CC(C(=O)NCc1ccc(nc1OC1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C23H27F4N3O4S/c1-14(15-8-10-19(18(24)12-15)30-35(2,32)33)21(31)28-13-16-9-11-20(23(25,26)27)29-22(16)34-17-6-4-3-5-7-17/h8-12,14,17,30H,3-7,13H2,1-2H3,(H,28,31)
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1.30n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434916
PNG
(CHEMBL2385244)
Show SMILES CC(C(=O)NCc1ccc(nc1OC1CCN(CC1)C(=O)OC(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C27H34F4N4O6S/c1-16(17-6-8-21(20(28)14-17)34-42(5,38)39)23(36)32-15-18-7-9-22(27(29,30)31)33-24(18)40-19-10-12-35(13-11-19)25(37)41-26(2,3)4/h6-9,14,16,19,34H,10-13,15H2,1-5H3,(H,32,36)
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1.30n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434925
PNG
(CHEMBL2385415)
Show SMILES CC(C(=O)NCc1ccc(nc1OC1CCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C21H23F4N3O4S/c1-12(13-6-8-17(16(22)10-13)28-33(2,30)31)19(29)26-11-14-7-9-18(21(23,24)25)27-20(14)32-15-4-3-5-15/h6-10,12,15,28H,3-5,11H2,1-2H3,(H,26,29)
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1.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
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