BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'jung' and Initial = 'jw'   
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
Aryl hydrocarbon receptor


(Mus musculus (Mouse))		BDBM50506039
PNG
(CHEMBL1324296 | US11891386, Compound 002)
Show SMILES COC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
 10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))		BDBM50605060
PNG
(CHEMBL5198290 | US11891386, Compound 004)
Show SMILES CNC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 88n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))		BDBM50605061
PNG
(CHEMBL5179114)
Show SMILES COc1ccc(Cn2cc(C(=O)c3nccs3)c3ccccc23)cc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 800n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304771
PNG
(3-(4-tert-Butylphenyl)-N-[3-fluoro-4-(methylsulfon...)
Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(C=C)c2)cc1
Show InChI InChI=1S/C23H29FN2O3S/c1-6-18-13-17(14-20(24)22(18)26-30(5,28)29)15-25-21(27)12-9-16-7-10-19(11-8-16)23(2,3)4/h6-8,10-11,13-14,26H,1,9,12,15H2,2-5H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304776
PNG
(3-(4-tert-Butylphenyl)-N-[3-cyano-5-fluoro-4-(meth...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#N)cc1
Show InChI InChI=1S/C22H26FN3O2S2/c1-22(2,3)18-8-5-15(6-9-18)7-10-20(29)25-14-16-11-17(13-24)21(19(23)12-16)26-30(4,27)28/h5-6,8-9,11-12,26H,7,10,14H2,1-4H3,(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304770
PNG
(3-(4-tert-Butylphenyl)-N-[3-fluoro-4-(methylsulfon...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2cc(F)c(NS(C)(=O)=O)c(C=C)c2)cc1
Show InChI InChI=1S/C23H29FN2O2S2/c1-6-18-13-17(14-20(24)22(18)26-30(5,27)28)15-25-21(29)12-9-16-7-10-19(11-8-16)23(2,3)4/h6-8,10-11,13-14,26H,1,9,12,15H2,2-5H3,(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304752
PNG
(3-(4-tert-Butylphenyl)-N-[3-fluoro-4-(methylsulfon...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C21H27FN2O2S2/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(27)23-14-16-7-11-19(18(22)13-16)24-28(4,25)26/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304761
PNG
(3-(4-tert-Butylphenyl)-N-[3-cyano-4-(methylsulfona...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(c2)C#N)cc1
Show InChI InChI=1S/C22H27N3O2S2/c1-22(2,3)19-9-5-16(6-10-19)8-12-21(28)24-15-17-7-11-20(18(13-17)14-23)25-29(4,26)27/h5-7,9-11,13,25H,8,12,15H2,1-4H3,(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304758
PNG
(3-(4-tert-Butylphenyl)-N-[3-methyl-4-(methylsulfon...)
Show SMILES Cc1cc(CNC(=S)CCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C22H30N2O2S2/c1-16-14-18(8-12-20(16)24-28(5,25)26)15-23-21(27)13-9-17-6-10-19(11-7-17)22(2,3)4/h6-8,10-12,14,24H,9,13,15H2,1-5H3,(H,23,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304760
PNG
(3-(4-tert-Butylphenyl)-N-[4-(methylsulfonamido)-3-...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(C=C)c2)cc1
Show InChI InChI=1S/C23H30N2O2S2/c1-6-19-15-18(9-13-21(19)25-29(5,26)27)16-24-22(28)14-10-17-7-11-20(12-8-17)23(2,3)4/h6-9,11-13,15,25H,1,10,14,16H2,2-5H3,(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304762
PNG
(3-(4-tert-Butylphenyl)-N-[4-(methylsulfonamido)-3-...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H27N3O4S2/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(29)22-14-16-7-11-18(23-30(4,27)28)19(13-16)24(25)26/h5-7,9-11,13,23H,8,12,14H2,1-4H3,(H,22,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304772
PNG
(3-(4-tert-Butylphenyl)-N-[3-acetylene-5-fluoro-4-(...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#C)cc1
Show InChI InChI=1S/C23H27FN2O2S2/c1-6-18-13-17(14-20(24)22(18)26-30(5,27)28)15-25-21(29)12-9-16-7-10-19(11-8-16)23(2,3)4/h1,7-8,10-11,13-14,26H,9,12,15H2,2-5H3,(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304768
PNG
(3-(4-tert-Butylphenyl)-N-[3-chloro-5-methyl-4-(met...)
Show SMILES Cc1cc(CNC(=S)CCc2ccc(cc2)C(C)(C)C)cc(Cl)c1NS(C)(=O)=O
Show InChI InChI=1S/C22H29ClN2O2S2/c1-15-12-17(13-19(23)21(15)25-29(5,26)27)14-24-20(28)11-8-16-6-9-18(10-7-16)22(2,3)4/h6-7,9-10,12-13,25H,8,11,14H2,1-5H3,(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50258476
PNG
(3-(4-tert-Butylphenyl)-N-(3-cyano-5-fluoro-4-(meth...)
Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#N)cc1
Show InChI InChI=1S/C22H26FN3O3S/c1-22(2,3)18-8-5-15(6-9-18)7-10-20(27)25-14-16-11-17(13-24)21(19(23)12-16)26-30(4,28)29/h5-6,8-9,11-12,26H,7,10,14H2,1-4H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304753
PNG
(3-(4-tert-Butylphenyl)-N-[3-chloro-4-(methylsulfon...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1
Show InChI InChI=1S/C21H27ClN2O2S2/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(27)23-14-16-7-11-19(18(22)13-16)24-28(4,25)26/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 96n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304769
PNG
(3-(4-tert-Butylphenyl)-N-[3-chloro-5-methyl-4-(met...)
Show SMILES Cc1cc(CNC(=O)CCc2ccc(cc2)C(C)(C)C)cc(Cl)c1NS(C)(=O)=O
Show InChI InChI=1S/C22H29ClN2O3S/c1-15-12-17(13-19(23)21(15)25-29(5,27)28)14-24-20(26)11-8-16-6-9-18(10-7-16)22(2,3)4/h6-7,9-10,12-13,25H,8,11,14H2,1-5H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304773
PNG
(3-(4-tert-Butylphenyl)-N-[3-acetylene-5-fluoro-4-(...)
Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#C)cc1
Show InChI InChI=1S/C23H27FN2O3S/c1-6-18-13-17(14-20(24)22(18)26-30(5,28)29)15-25-21(27)12-9-16-7-10-19(11-8-16)23(2,3)4/h1,7-8,10-11,13-14,26H,9,12,15H2,2-5H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304759
PNG
(3-(4-tert-Butylphenyl)-N-[3-ethyl-4-(methylsulfona...)
Show SMILES CCc1cc(CNC(=S)CCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C23H32N2O2S2/c1-6-19-15-18(9-13-21(19)25-29(5,26)27)16-24-22(28)14-10-17-7-11-20(12-8-17)23(2,3)4/h7-9,11-13,15,25H,6,10,14,16H2,1-5H3,(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304774
PNG
(3-(4-tert-Butylphenyl)-N-[3-cyclopropyl-5-fluoro-4...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C2CC2)cc1
Show InChI InChI=1S/C24H31FN2O2S2/c1-24(2,3)19-10-5-16(6-11-19)7-12-22(30)26-15-17-13-20(18-8-9-18)23(21(25)14-17)27-31(4,28)29/h5-6,10-11,13-14,18,27H,7-9,12,15H2,1-4H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304755
PNG
(3-(4-tert-Butylphenyl)-N-[3-iodo-4-(methylsulfonam...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(I)c2)cc1
Show InChI InChI=1S/C21H27IN2O2S2/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(27)23-14-16-7-11-19(18(22)13-16)24-28(4,25)26/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304775
PNG
(3-(4-tert-Butylphenyl)-N-[3-cyclopropyl-5-fluoro-4...)
Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C2CC2)cc1
Show InChI InChI=1S/C24H31FN2O3S/c1-24(2,3)19-10-5-16(6-11-19)7-12-22(28)26-15-17-13-20(18-8-9-18)23(21(25)14-17)27-31(4,29)30/h5-6,10-11,13-14,18,27H,7-9,12,15H2,1-4H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304767
PNG
(3-(4-tert-Butylphenyl)-N-[3,5-dimethyl-4-(methylsu...)
Show SMILES Cc1cc(CNC(=O)CCc2ccc(cc2)C(C)(C)C)cc(C)c1NS(C)(=O)=O
Show InChI InChI=1S/C23H32N2O3S/c1-16-13-19(14-17(2)22(16)25-29(6,27)28)15-24-21(26)12-9-18-7-10-20(11-8-18)23(3,4)5/h7-8,10-11,13-14,25H,9,12,15H2,1-6H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 620n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304757
PNG
(3-(4-tert-Butylphenyl)-N-[4-(methylsulfon amido)-3...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H27F3N2O2S2/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(30)26-14-16-7-11-19(27-31(4,28)29)18(13-16)22(23,24)25/h5-7,9-11,13,27H,8,12,14H2,1-4H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 940n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304765
PNG
(CHEMBL610203 | N-[3-Acetyl-4-(methylsulfonamido)be...)
Show SMILES CC(=O)c1cc(CNC(=S)CCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C23H30N2O3S2/c1-16(26)20-14-18(8-12-21(20)25-30(5,27)28)15-24-22(29)13-9-17-6-10-19(11-7-17)23(2,3)4/h6-8,10-12,14,25H,9,13,15H2,1-5H3,(H,24,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304756
PNG
(3-(4-tert-Butylphenyl)-N-[4-(methylsulfonamido)-2-...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)cc2C(F)(F)F)cc1
Show InChI InChI=1S/C22H27F3N2O2S2/c1-21(2,3)17-9-5-15(6-10-17)7-12-20(30)26-14-16-8-11-18(27-31(4,28)29)13-19(16)22(23,24)25/h5-6,8-11,13,27H,7,12,14H2,1-4H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304766
PNG
(3-(4-tert-Butylphenyl)-N-[3,5-dimethyl-4-(methylsu...)
Show SMILES Cc1cc(CNC(=S)CCc2ccc(cc2)C(C)(C)C)cc(C)c1NS(C)(=O)=O
Show InChI InChI=1S/C23H32N2O2S2/c1-16-13-19(14-17(2)22(16)25-29(6,26)27)15-24-21(28)12-9-18-7-10-20(11-8-18)23(3,4)5/h7-8,10-11,13-14,25H,9,12,15H2,1-6H3,(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304754
PNG
(3-(4-tert-Butylphenyl)-N-[2-chloro-4-(methylsulfon...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1
Show InChI InChI=1S/C21H27ClN2O2S2/c1-21(2,3)17-9-5-15(6-10-17)7-12-20(27)23-14-16-8-11-18(13-19(16)22)24-28(4,25)26/h5-6,8-11,13,24H,7,12,14H2,1-4H3,(H,23,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304764
PNG
(CHEMBL594268 | Methyl 5-{[3-(4-tert-butylphenyl)pr...)
Show SMILES COC(=O)c1cc(CNC(=S)CCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C23H30N2O4S2/c1-23(2,3)18-10-6-16(7-11-18)9-13-21(30)24-15-17-8-12-20(25-31(5,27)28)19(14-17)22(26)29-4/h6-8,10-12,14,25H,9,13,15H2,1-5H3,(H,24,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304763
PNG
(5-{[3-(4-tert-Butylphenyl)propanethioamido]methyl}...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(c2)C(O)=O)cc1
Show InChI InChI=1S/C22H28N2O4S2/c1-22(2,3)17-9-5-15(6-10-17)8-12-20(29)23-14-16-7-11-19(24-30(4,27)28)18(13-16)21(25)26/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,29)(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.26E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))		BDBM50605060
PNG
(CHEMBL5198290 | US11891386, Compound 004)
Show SMILES CNC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.21E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 2.00E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264340
PNG
((S)-3-(3-((E)-1-Benzyloxyiminoethyl)phenyl)-2-etho...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C(\C)=N\OCc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C20H23NO4/c1-3-24-19(20(22)23)13-17-10-7-11-18(12-17)15(2)21-25-14-16-8-5-4-6-9-16/h4-12,19H,3,13-14H2,1-2H3,(H,22,23)/b21-15+/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 121n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264339
PNG
((R)-2-Ethoxy-3-(3-(4,5-dihydro-5-phenethylisoxazol...)
Show SMILES CCO[C@H](Cc1cccc(c1)C1=NOC(CCc2ccccc2)C1)C(O)=O |r,t:12|
Show InChI InChI=1S/C22H25NO4/c1-2-26-21(22(24)25)14-17-9-6-10-18(13-17)20-15-19(27-23-20)12-11-16-7-4-3-5-8-16/h3-10,13,19,21H,2,11-12,14-15H2,1H3,(H,24,25)/t19?,21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 2.51E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264539
PNG
((R)-3-(3-(5-Benzyl-4,5-dihydroisoxazol-3-yl)phenyl...)
Show SMILES CCO[C@H](Cc1cccc(c1)C1=NOC(Cc2ccccc2)C1)C(O)=O |r,t:12|
Show InChI InChI=1S/C21H23NO4/c1-2-25-20(21(23)24)13-16-9-6-10-17(11-16)19-14-18(26-22-19)12-15-7-4-3-5-8-15/h3-11,18,20H,2,12-14H2,1H3,(H,23,24)/t18?,20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 4.14E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264538
PNG
((S)-2-Ethoxy-3-(3-(4,5-dihydro-5-phenethylisoxazol...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(CCc2ccccc2)C1)C(O)=O |r,t:12|
Show InChI InChI=1S/C22H25NO4/c1-2-26-21(22(24)25)14-17-9-6-10-18(13-17)20-15-19(27-23-20)12-11-16-7-4-3-5-8-16/h3-10,13,19,21H,2,11-12,14-15H2,1H3,(H,24,25)/t19?,21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.85E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264537
PNG
((S)-3-(3-(5-Benzyl-4,5-dihydroisoxazol-3-yl)phenyl...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(Cc2ccccc2)C1)C(O)=O |r,t:12|
Show InChI InChI=1S/C21H23NO4/c1-2-25-20(21(23)24)13-16-9-6-10-17(11-16)19-14-18(26-22-19)12-15-7-4-3-5-8-15/h3-11,18,20H,2,12-14H2,1H3,(H,23,24)/t18?,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 6.93E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264303
PNG
((S)-3-(3-((E)-1-(2-Chlorobenzyloxyimino)ethyl)phen...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C(\C)=N\OCc1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C20H22ClNO4/c1-3-25-19(20(23)24)12-15-7-6-9-16(11-15)14(2)22-26-13-17-8-4-5-10-18(17)21/h4-11,19H,3,12-13H2,1-2H3,(H,23,24)/b22-14+/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 26n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264302
PNG
((S)-3-(3-((E)-1-(3-Chlorobenzyloxyimino)ethyl)phen...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C(\C)=N\OCc1cccc(Cl)c1)C(O)=O |r|
Show InChI InChI=1S/C20H22ClNO4/c1-3-25-19(20(23)24)12-15-6-4-8-17(10-15)14(2)22-26-13-16-7-5-9-18(21)11-16/h4-11,19H,3,12-13H2,1-2H3,(H,23,24)/b22-14+/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264508
PNG
((S)-2-Ethoxy-3-(3-(5-(4-(tert-butylphenyl)-4,5-dih...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(cc1)C(C)(C)C)C(O)=O |r,t:12|
Show InChI InChI=1S/C24H29NO4/c1-5-28-22(23(26)27)14-16-7-6-8-18(13-16)20-15-21(29-25-20)17-9-11-19(12-10-17)24(2,3)4/h6-13,21-22H,5,14-15H2,1-4H3,(H,26,27)/t21?,22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 2.73E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264507
PNG
((S)-2-Ethoxy-3-(3-(5-(4-methoxyphenyl)-4,5-dihydro...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(OC)cc1)C(O)=O |r,t:12|
Show InChI InChI=1S/C21H23NO5/c1-3-26-20(21(23)24)12-14-5-4-6-16(11-14)18-13-19(27-22-18)15-7-9-17(25-2)10-8-15/h4-11,19-20H,3,12-13H2,1-2H3,(H,23,24)/t19?,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 3.19E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264506
PNG
((S)-2-Ethoxy-3-(3-(5-(4-methanesulfonyloxyphenyl)-...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(OS(C)(=O)=O)cc1)C(O)=O |r,t:12|
Show InChI InChI=1S/C21H23NO7S/c1-3-27-20(21(23)24)12-14-5-4-6-16(11-14)18-13-19(28-22-18)15-7-9-17(10-8-15)29-30(2,25)26/h4-11,19-20H,3,12-13H2,1-2H3,(H,23,24)/t19?,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 2.81E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264505
PNG
((S)-2-Ethoxy-3-(3-(5-(4-hydroxyphenyl)-4,5-dihydro...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(O)cc1)C(O)=O |r,t:12|
Show InChI InChI=1S/C20H21NO5/c1-2-25-19(20(23)24)11-13-4-3-5-15(10-13)17-12-18(26-21-17)14-6-8-16(22)9-7-14/h3-10,18-19,22H,2,11-12H2,1H3,(H,23,24)/t18?,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 3.86E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264504
PNG
((S)-2-Ethoxy-3-(3-(5-(4-iodophenyl)-4,5-dihydroiso...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(I)cc1)C(O)=O |r,t:12|
Show InChI InChI=1S/C20H20INO4/c1-2-25-19(20(23)24)11-13-4-3-5-15(10-13)17-12-18(26-22-17)14-6-8-16(21)9-7-14/h3-10,18-19H,2,11-12H2,1H3,(H,23,24)/t18?,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 606n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264476
PNG
((S)-2-Ethoxy-3-(3-(5-(4-bromophenyl)-4,5-dihydrois...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(Br)cc1)C(O)=O |r,t:12|
Show InChI InChI=1S/C20H20BrNO4/c1-2-25-19(20(23)24)11-13-4-3-5-15(10-13)17-12-18(26-22-17)14-6-8-16(21)9-7-14/h3-10,18-19H,2,11-12H2,1H3,(H,23,24)/t18?,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 740n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264301
PNG
((S)-2-Ethoxy-3-(3-(5-(4-chlorophenyl)-4,5-dihydroi...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(Cl)cc1)C(O)=O |r,t:12|
Show InChI InChI=1S/C20H20ClNO4/c1-2-25-19(20(23)24)11-13-4-3-5-15(10-13)17-12-18(26-22-17)14-6-8-16(21)9-7-14/h3-10,18-19H,2,11-12H2,1H3,(H,23,24)/t18?,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 816n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264475
PNG
((S)-2-Ethoxy-3-(3-(5-(4-fluorophenyl)-4,5-dihydroi...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(F)cc1)C(O)=O |r,t:12|
Show InChI InChI=1S/C20H20FNO4/c1-2-25-19(20(23)24)11-13-4-3-5-15(10-13)17-12-18(26-22-17)14-6-8-16(21)9-7-14/h3-10,18-19H,2,11-12H2,1H3,(H,23,24)/t18?,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.16E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264474
PNG
((S)-3-(3-((E)-1-(4-(tert-Butylbenzyloxyimino)ethyl...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C(\C)=N\OCc1ccc(cc1)C(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C24H31NO4/c1-6-28-22(23(26)27)15-19-8-7-9-20(14-19)17(2)25-29-16-18-10-12-21(13-11-18)24(3,4)5/h7-14,22H,6,15-16H2,1-5H3,(H,26,27)/b25-17+/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 279n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264473
PNG
((S)-3-(3-((E)-1-(4-Methoxybenzyloxyimino)ethyl)phe...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C(\C)=N\OCc1ccc(OC)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H25NO5/c1-4-26-20(21(23)24)13-17-6-5-7-18(12-17)15(2)22-27-14-16-8-10-19(25-3)11-9-16/h5-12,20H,4,13-14H2,1-3H3,(H,23,24)/b22-15+/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 175n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50264472
PNG
((S)-3-(3-((E)-1-(4-Methanesulfonyloxybenzyloxyimin...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C(\C)=N\OCc1ccc(OS(C)(=O)=O)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H25NO7S/c1-4-27-20(21(23)24)13-17-6-5-7-18(12-17)15(2)22-28-14-16-8-10-19(11-9-16)29-30(3,25)26/h5-12,20H,4,13-14H2,1-3H3,(H,23,24)/b22-15+/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.61E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...

J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 97 total )  |  Next  |  Last  >>
Jump to: