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Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'hsu' and Initial = 'mc'   
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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM92520
PNG
(TG-0204998)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(C)=O |r,w:39.41|
Show InChI InChI=1S/C32H47N5O7/c1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-11,13,20,23,25-26H,12,14-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t23-,25-,26-/m0/s1
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 38 -42.4n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...

J Biol Chem 284: 7646-55 (2009)


Article DOI: 10.1074/jbc.M807947200
BindingDB Entry DOI: 10.7270/Q2SN07KT
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM11233
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24-,25-,26-,27-/m0/s1
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 53 -41.5n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...

J Med Chem 49: 4971-80 (2006)


Article DOI: 10.1021/jm0603926
BindingDB Entry DOI: 10.7270/Q24B2ZJT
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM11233
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24-,25-,26-,27-/m0/s1
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 54 -41.5n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...

J Biol Chem 284: 7646-55 (2009)


Article DOI: 10.1074/jbc.M807947200
BindingDB Entry DOI: 10.7270/Q2SN07KT
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM11232
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C |r|
Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26-,28-/m0/s1
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 58 -41.3n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...

J Med Chem 49: 4971-80 (2006)


Article DOI: 10.1021/jm0603926
BindingDB Entry DOI: 10.7270/Q24B2ZJT
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM11232
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C |r|
Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26-,28-/m0/s1
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 58 -41.3n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...

J Biol Chem 284: 7646-55 (2009)


Article DOI: 10.1074/jbc.M807947200
BindingDB Entry DOI: 10.7270/Q2SN07KT
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM92521
PNG
(TG-0205486)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(=O)C1CC1 |r,w:38.40|
Show InChI InChI=1S/C34H50N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,14,21-22,24-25,27,29H,12-13,15-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t22?,25-,27-,29-/m0/s1
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 99 -40.0n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...

J Biol Chem 284: 7646-55 (2009)


Article DOI: 10.1074/jbc.M807947200
BindingDB Entry DOI: 10.7270/Q2SN07KT
More data for this
Ligand-Target Pair
Genome polyprotein


(Coxsackievirus B3 (strain Nancy))		BDBM92521
PNG
(TG-0205486)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(=O)C1CC1 |r,w:38.40|
Show InChI InChI=1S/C34H50N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,14,21-22,24-25,27,29H,12-13,15-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t22?,25-,27-,29-/m0/s1
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 400 -36.5n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...

J Biol Chem 284: 7646-55 (2009)


Article DOI: 10.1074/jbc.M807947200
BindingDB Entry DOI: 10.7270/Q2SN07KT
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM11231
PNG
(N-[(benzyloxy)carbonyl]-L-valyl-N1-((1S,2E)-4-etho...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C30H44N4O7/c1-6-40-25(35)13-12-23(17-22-14-15-31-27(22)36)32-28(37)24(16-19(2)3)33-29(38)26(20(4)5)34-30(39)41-18-21-10-8-7-9-11-21/h7-13,19-20,22-24,26H,6,14-18H2,1-5H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/b13-12+/t22-,23+,24-,26-/m0/s1
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 660 -35.3n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...

J Med Chem 49: 4971-80 (2006)


Article DOI: 10.1021/jm0603926
BindingDB Entry DOI: 10.7270/Q24B2ZJT
More data for this
Ligand-Target Pair
Genome polyprotein


(Coxsackievirus B3 (strain Nancy))		BDBM92520
PNG
(TG-0204998)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(C)=O |r,w:39.41|
Show InChI InChI=1S/C32H47N5O7/c1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-11,13,20,23,25-26H,12,14-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t23-,25-,26-/m0/s1
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 800 -34.8n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...

J Biol Chem 284: 7646-55 (2009)


Article DOI: 10.1074/jbc.M807947200
BindingDB Entry DOI: 10.7270/Q2SN07KT
More data for this
Ligand-Target Pair
Genome polyprotein


(Coxsackievirus B3 (strain Nancy))		BDBM11232
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C |r|
Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26-,28-/m0/s1
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 1.50E+3 -33.2n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...

J Biol Chem 284: 7646-55 (2009)


Article DOI: 10.1074/jbc.M807947200
BindingDB Entry DOI: 10.7270/Q2SN07KT
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM11230
PNG
(AG7088 analogue 2d | CHEMBL277716 | N-[(benzyloxy)...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C33H42N4O7/c1-4-43-28(38)16-15-26(20-25-17-18-34-30(25)39)35-31(40)27(19-23-11-7-5-8-12-23)36-32(41)29(22(2)3)37-33(42)44-21-24-13-9-6-10-14-24/h5-16,22,25-27,29H,4,17-21H2,1-3H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b16-15+/t25-,26+,27-,29-/m0/s1
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 2.26E+3 -32.2n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...

J Med Chem 49: 4971-80 (2006)


Article DOI: 10.1021/jm0603926
BindingDB Entry DOI: 10.7270/Q24B2ZJT
More data for this
Ligand-Target Pair
Genome polyprotein


(Coxsackievirus B3 (strain Nancy))		BDBM11233
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24-,25-,26-,27-/m0/s1
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 2.50E+3 -32.0n/an/an/an/an/a6.525



National Yang-Ming University



Assay Description
Peptidomimetic inhibitors against CVB3 3Cpro and SARS-CoV 3CLpro. The inhibition constant of SARS 3CLpro was analyzed with reverse-phase HPLC using a...

J Biol Chem 284: 7646-55 (2009)


Article DOI: 10.1074/jbc.M807947200
BindingDB Entry DOI: 10.7270/Q2SN07KT
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM11229
PNG
(AG7088 analogue 2a | CHEMBL20636 | N-[(5-methyliso...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C |r|
Show InChI InChI=1S/C30H38FN5O7/c1-5-42-25(37)11-10-22(16-20-12-13-32-27(20)38)33-28(39)23(15-19-6-8-21(31)9-7-19)34-30(41)26(17(2)3)35-29(40)24-14-18(4)43-36-24/h6-11,14,17,20,22-23,26H,5,12-13,15-16H2,1-4H3,(H,32,38)(H,33,39)(H,34,41)(H,35,40)/b11-10+/t20-,22+,23-,26-/m0/s1
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>1.00E+4>-28.5n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...

J Med Chem 49: 4971-80 (2006)


Article DOI: 10.1021/jm0603926
BindingDB Entry DOI: 10.7270/Q24B2ZJT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321857
PNG
(8-{4-(4-Fluorophenyl)-5-[4-(trifluoromethyl)phenyl...)
Show SMILES OC1CCc2cccc(Nc3nc(c(o3)-c3ccc(cc3)C(F)(F)F)-c3ccc(F)cc3)c2C1
Show InChI InChI=1S/C26H20F4N2O2/c27-19-11-6-16(7-12-19)23-24(17-4-9-18(10-5-17)26(28,29)30)34-25(32-23)31-22-3-1-2-15-8-13-20(33)14-21(15)22/h1-7,9-12,20,33H,8,13-14H2,(H,31,32)
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n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321856
PNG
(4-{2-[7-Hydroxy-5,6,7,8-tetrahydronaphthalen-1-yla...)
Show SMILES OC1CCc2cccc(Nc3nc(c(o3)-c3ccc(cc3)C(F)(F)F)-c3ccc(cc3)C#N)c2C1
Show InChI InChI=1S/C27H20F3N3O2/c28-27(29,30)20-11-8-19(9-12-20)25-24(18-6-4-16(15-31)5-7-18)33-26(35-25)32-23-3-1-2-17-10-13-21(34)14-22(17)23/h1-9,11-12,21,34H,10,13-14H2,(H,32,33)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321853
PNG
(8-{4-Ethyl-5-[4-(trifluoromethyl)phenyl]oxazol-2-y...)
Show SMILES CCc1nc(Nc2cccc3CCC(O)Cc23)oc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N2O2/c1-2-18-20(14-6-9-15(10-7-14)22(23,24)25)29-21(26-18)27-19-5-3-4-13-8-11-16(28)12-17(13)19/h3-7,9-10,16,28H,2,8,11-12H2,1H3,(H,26,27)
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n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321850
PNG
(8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazol-2-...)
Show SMILES Cc1nc(Nc2cccc3CCC(O)Cc23)oc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H19F3N2O2/c1-12-19(14-5-8-15(9-6-14)21(22,23)24)28-20(25-12)26-18-4-2-3-13-7-10-16(27)11-17(13)18/h2-6,8-9,16,27H,7,10-11H2,1H3,(H,25,26)
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n/an/a 3.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321852
PNG
((S)-8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazo...)
Show SMILES Cc1nc(Nc2cccc3CC[C@H](O)Cc23)oc1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N2O2/c1-12-19(14-5-8-15(9-6-14)21(22,23)24)28-20(25-12)26-18-4-2-3-13-7-10-16(27)11-17(13)18/h2-6,8-9,16,27H,7,10-11H2,1H3,(H,25,26)/t16-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321836
PNG
(8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-...)
Show SMILES OC1CCc2cccc(Nc3ncc(o3)-c3ccc(cc3)C(F)(F)F)c2C1
Show InChI InChI=1S/C20H17F3N2O2/c21-20(22,23)14-7-4-13(5-8-14)18-11-24-19(27-18)25-17-3-1-2-12-6-9-15(26)10-16(12)17/h1-5,7-8,11,15,26H,6,9-10H2,(H,24,25)
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n/an/a 8.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321855
PNG
(8-{4-Bromo-5-[4-(trifluoromethyl)phenyl]oxazol-2-y...)
Show SMILES OC1CCc2cccc(Nc3nc(Br)c(o3)-c3ccc(cc3)C(F)(F)F)c2C1
Show InChI InChI=1S/C20H16BrF3N2O2/c21-18-17(12-4-7-13(8-5-12)20(22,23)24)28-19(26-18)25-16-3-1-2-11-6-9-14(27)10-15(11)16/h1-5,7-8,14,27H,6,9-10H2,(H,25,26)
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321839
PNG
(8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}n...)
Show SMILES Oc1ccc2cccc(Nc3ncc(o3)-c3ccc(cc3)C(F)(F)F)c2c1
Show InChI InChI=1S/C20H13F3N2O2/c21-20(22,23)14-7-4-13(5-8-14)18-11-24-19(27-18)25-17-3-1-2-12-6-9-15(26)10-16(12)17/h1-11,26H,(H,24,25)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321845
PNG
(8-[5-(4-Chlorophenyl)oxazol-2-ylamino]-1,2,3,4-tet...)
Show SMILES OC1CCc2cccc(Nc3ncc(o3)-c3ccc(Cl)cc3)c2C1
Show InChI InChI=1S/C19H17ClN2O2/c20-14-7-4-13(5-8-14)18-11-21-19(24-18)22-17-3-1-2-12-6-9-15(23)10-16(12)17/h1-5,7-8,11,15,23H,6,9-10H2,(H,21,22)
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321851
PNG
((R)-8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazo...)
Show SMILES Cc1nc(Nc2cccc3CC[C@@H](O)Cc23)oc1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N2O2/c1-12-19(14-5-8-15(9-6-14)21(22,23)24)28-20(25-12)26-18-4-2-3-13-7-10-16(27)11-17(13)18/h2-6,8-9,16,27H,7,10-11H2,1H3,(H,25,26)/t16-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321844
PNG
(8-[5-(4-tert-Butylphenyl)oxazol-2-ylamino]-1,2,3,4...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cnc(Nc2cccc3CCC(O)Cc23)o1
Show InChI InChI=1S/C23H26N2O2/c1-23(2,3)17-10-7-16(8-11-17)21-14-24-22(27-21)25-20-6-4-5-15-9-12-18(26)13-19(15)20/h4-8,10-11,14,18,26H,9,12-13H2,1-3H3,(H,24,25)
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n/an/a 26n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50181911
PNG
((5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)39-19-6-18-38-27-12-14-30-25(21-27)16-17-34(30)22-32(35)36/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36)
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n/an/a 50n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay

J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321843
PNG
(8-(5-p-tolyloxazol-2-ylamino)-1,2,3,4-tetrahydrona...)
Show SMILES Cc1ccc(cc1)-c1cnc(Nc2cccc3CCC(O)Cc23)o1
Show InChI InChI=1S/C20H20N2O2/c1-13-5-7-15(8-6-13)19-12-21-20(24-19)22-18-4-2-3-14-9-10-16(23)11-17(14)18/h2-8,12,16,23H,9-11H2,1H3,(H,21,22)
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n/an/a 62n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321846
PNG
(8-[5-(4-Methoxyphenyl)oxazol-2-ylamino]-1,2,3,4-te...)
Show SMILES COc1ccc(cc1)-c1cnc(Nc2cccc3CCC(O)Cc23)o1
Show InChI InChI=1S/C20H20N2O3/c1-24-16-9-6-14(7-10-16)19-12-21-20(25-19)22-18-4-2-3-13-5-8-15(23)11-17(13)18/h2-4,6-7,9-10,12,15,23H,5,8,11H2,1H3,(H,21,22)
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n/an/a 81n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/a 92n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay

J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50179236
PNG
(2-(5-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/a 96n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay

J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321838
PNG
(CHEMBL1173746 | N-(1H-indazol-4-yl)-5-[4-(trifluor...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cnc(Nc2cccc3[nH]ncc23)o1
Show InChI InChI=1S/C17H11F3N4O/c18-17(19,20)11-6-4-10(5-7-11)15-9-21-16(25-15)23-13-2-1-3-14-12(13)8-22-24-14/h1-9H,(H,21,23)(H,22,24)
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n/an/a 101n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321847
PNG
(8-{5-[4-(Pyrrolidin-1-yl)phenyl]oxazol-2-ylamino}-...)
Show SMILES OC1CCc2cccc(Nc3ncc(o3)-c3ccc(cc3)N3CCCC3)c2C1
Show InChI InChI=1S/C23H25N3O2/c27-19-11-8-16-4-3-5-21(20(16)14-19)25-23-24-15-22(28-23)17-6-9-18(10-7-17)26-12-1-2-13-26/h3-7,9-10,15,19,27H,1-2,8,11-14H2,(H,24,25)
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n/an/a 101n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50181911
PNG
((5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)39-19-6-18-38-27-12-14-30-25(21-27)16-17-34(30)22-32(35)36/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36)
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n/an/a 113n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay

J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321854
PNG
(8-{4-Isopropyl-5-[4-(trifluoromethyl)phenyl]oxazol...)
Show SMILES CC(C)c1nc(Nc2cccc3CCC(O)Cc23)oc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N2O2/c1-13(2)20-21(15-6-9-16(10-7-15)23(24,25)26)30-22(28-20)27-19-5-3-4-14-8-11-17(29)12-18(14)19/h3-7,9-10,13,17,29H,8,11-12H2,1-2H3,(H,27,28)
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n/an/a 114n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50181902
PNG
(2-(6-(3-(4-(4-fluorobenzoyl)phenoxy)propoxy)-1H-in...)
Show SMILES OC(=O)Cn1ccc2ccc(OCCCOc3ccc(cc3)C(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C26H22FNO5/c27-21-7-2-19(3-8-21)26(31)20-5-9-22(10-6-20)32-14-1-15-33-23-11-4-18-12-13-28(17-25(29)30)24(18)16-23/h2-13,16H,1,14-15,17H2,(H,29,30)
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n/an/a 116n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay

J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321834
PNG
(5-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-...)
Show SMILES CC1CCc2c(C1)cccc2Nc1ncc(o1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H19F3N2O/c1-13-5-10-17-15(11-13)3-2-4-18(17)26-20-25-12-19(27-20)14-6-8-16(9-7-14)21(22,23)24/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,25,26)
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n/an/a 120n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50181903
PNG
(2-(5-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2n(CC(O)=O)ccc2c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-4-22-17-23(29(34)20-5-8-24(30)9-6-20)7-12-27(22)36-16-3-15-35-25-10-11-26-21(18-25)13-14-31(26)19-28(32)33/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,33)
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n/an/a 129n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay

J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321831
PNG
(CHEMBL1173093 | N-(7-methoxy-5,6,7,8-tetrahydronap...)
Show SMILES COC1CCc2cccc(Nc3ncc(o3)-c3ccc(cc3)C(F)(F)F)c2C1
Show InChI InChI=1S/C21H19F3N2O2/c1-27-16-10-7-13-3-2-4-18(17(13)11-16)26-20-25-12-19(28-20)14-5-8-15(9-6-14)21(22,23)24/h2-6,8-9,12,16H,7,10-11H2,1H3,(H,25,26)
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n/an/a 150n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50179236
PNG
(2-(5-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)
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n/an/a 152n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay

J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321842
PNG
(8-(5-m-Tolyloxazol-2-ylamino)-1,2,3,4-tetrahydrona...)
Show SMILES Cc1cccc(c1)-c1cnc(Nc2cccc3CCC(O)Cc23)o1
Show InChI InChI=1S/C20H20N2O2/c1-13-4-2-6-15(10-13)19-12-21-20(24-19)22-18-7-3-5-14-8-9-16(23)11-17(14)18/h2-7,10,12,16,23H,8-9,11H2,1H3,(H,21,22)
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n/an/a 157n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321840
PNG
(8-(5-Phenyloxazol-2-ylamino)-1,2,3,4-tetrahydronap...)
Show SMILES OC1CCc2cccc(Nc3ncc(o3)-c3ccccc3)c2C1
Show InChI InChI=1S/C19H18N2O2/c22-15-10-9-13-7-4-8-17(16(13)11-15)21-19-20-12-18(23-19)14-5-2-1-3-6-14/h1-8,12,15,22H,9-11H2,(H,20,21)
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n/an/a 187n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50181913
PNG
(2-(5-(3-(4-(4-fluorobenzoyl)phenoxy)propoxy)-1H-in...)
Show SMILES OC(=O)Cn1ccc2cc(OCCCOc3ccc(cc3)C(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C26H22FNO5/c27-21-6-2-18(3-7-21)26(31)19-4-8-22(9-5-19)32-14-1-15-33-23-10-11-24-20(16-23)12-13-28(24)17-25(29)30/h2-13,16H,1,14-15,17H2,(H,29,30)
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n/an/a 213n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay

J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50181911
PNG
((5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}...)
Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)39-19-6-18-38-27-12-14-30-25(21-27)16-17-34(30)22-32(35)36/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36)
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n/an/a 223n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR delta by SPA assay

J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321837
PNG
(CHEMBL1173681 | N-(isoquinolin-5-yl)-5-[4-(trifluo...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cnc(Nc2cccc3cnccc23)o1
Show InChI InChI=1S/C19H12F3N3O/c20-19(21,22)14-6-4-12(5-7-14)17-11-24-18(26-17)25-16-3-1-2-13-10-23-9-8-15(13)16/h1-11H,(H,24,25)
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n/an/a 229n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321832
PNG
(8-[Methyl{5-[4-(trifluoromethyl)phenyl]oxazol-2-yl...)
Show SMILES CN(c1ncc(o1)-c1ccc(cc1)C(F)(F)F)c1cccc2CCC(O)Cc12
Show InChI InChI=1S/C21H19F3N2O2/c1-26(18-4-2-3-13-7-10-16(27)11-17(13)18)20-25-12-19(28-20)14-5-8-15(9-6-14)21(22,23)24/h2-6,8-9,12,16,27H,7,10-11H2,1H3
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n/an/a 277n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321830
PNG
(CHEMBL1173157 | N1-{5-[4-(trifluoromethyl)phenyl]o...)
Show SMILES NC1CCc2cccc(Nc3ncc(o3)-c3ccc(cc3)C(F)(F)F)c2C1
Show InChI InChI=1S/C20H18F3N3O/c21-20(22,23)14-7-4-13(5-8-14)18-11-25-19(27-18)26-17-3-1-2-12-6-9-15(24)10-16(12)17/h1-5,7-8,11,15H,6,9-10,24H2,(H,25,26)
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n/an/a 327n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321835
PNG
(8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cnc(Nc2cccc3CCC(=O)Cc23)o1
Show InChI InChI=1S/C20H15F3N2O2/c21-20(22,23)14-7-4-13(5-8-14)18-11-24-19(27-18)25-17-3-1-2-12-6-9-15(26)10-16(12)17/h1-5,7-8,11H,6,9-10H2,(H,24,25)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50181907
PNG
(2-(4-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1cccc2n(CC(O)=O)ccc12)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-5-21-18-22(29(34)20-8-11-23(30)12-9-20)10-13-26(21)35-16-4-17-36-27-7-3-6-25-24(27)14-15-31(25)19-28(32)33/h3,6-15,18H,2,4-5,16-17,19H2,1H3,(H,32,33)
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n/an/a 414n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay

J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50321841
PNG
(8-(5-o-Tolyloxazol-2-ylamino)-1,2,3,4-tetrahydrona...)
Show SMILES Cc1ccccc1-c1cnc(Nc2cccc3CCC(O)Cc23)o1
Show InChI InChI=1S/C20H20N2O2/c1-13-5-2-3-7-16(13)19-12-21-20(24-19)22-18-8-4-6-14-9-10-15(23)11-17(14)18/h2-8,12,15,23H,9-11H2,1H3,(H,21,22)
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n/an/a 416n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...

Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50181903
PNG
(2-(5-(3-(4-(4-fluorobenzoyl)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(ccc1OCCCOc1ccc2n(CC(O)=O)ccc2c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO5/c1-2-4-22-17-23(29(34)20-5-8-24(30)9-6-20)7-12-27(22)36-16-3-15-35-25-10-11-26-21(18-25)13-14-31(26)19-28(32)33/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,32,33)
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n/an/a 470n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay

J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50181904
PNG
(2-(5-(3-(6-benzoylnaphthalen-2-yloxy)propoxy)-1H-i...)
Show SMILES OC(=O)Cn1ccc2cc(OCCCOc3ccc4cc(ccc4c3)C(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C30H25NO5/c32-29(33)20-31-14-13-24-19-27(11-12-28(24)31)36-16-4-15-35-26-10-9-22-17-25(8-7-23(22)18-26)30(34)21-5-2-1-3-6-21/h1-3,5-14,17-19H,4,15-16,20H2,(H,32,33)
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National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]L-783,483 from human PPAR alpha by SPA assay

J Med Chem 49: 1212-6 (2006)


Article DOI: 10.1021/jm0510373
BindingDB Entry DOI: 10.7270/Q2QV3M3P
More data for this
Ligand-Target Pair
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