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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
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Found
74
hits Enz. Inhib. hit(s) with all data for entry = 50016018
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Peroxisome proliferator-activated receptor gamma
(Mus musculus)
BDBM50591456
(CHEMBL5207130)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.140
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591460
(CHEMBL5191837)
Show SMILES
Cc1cncc(c1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
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KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.160
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591456
(CHEMBL5207130)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.170
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591479
(CHEMBL5187164)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.220
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591459
(CHEMBL5179281)
Show SMILES
COc1ccc(cc1F)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.230
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591461
(CHEMBL5206512)
Show SMILES
CCc1ccc(cn1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.25
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591480
(CHEMBL5207464)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3I)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.290
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591466
(CHEMBL5204936)
Show SMILES
Cc1ccc(cc1)-n1nc2ccc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)cc2n1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.320
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591456
(CHEMBL5207130)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.400
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591465
(CHEMBL5201278)
Show SMILES
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc2nc(cn2c1)-c1ccccc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.580
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591468
(CHEMBL5184027)
Show SMILES
Cc1cc2nc(oc2cc1C)-c1ccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)cc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.60
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591463
(CHEMBL5199152)
Show SMILES
CCc1ccc(cc1)-c1nc2ccc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)cc2n1C
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.30
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591478
(CHEMBL5206276)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3F)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591464
(CHEMBL5183657)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2n1C
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4.40
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591479
(CHEMBL5187164)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
6.30
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591473
(CHEMBL5173312)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)C#N)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
8.60
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Mus musculus)
BDBM50591479
(CHEMBL5187164)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
24
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591457
(CHEMBL5174641)
Show SMILES
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1cccc(Cl)c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
52
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591455
(CHEMBL5201306)
Show SMILES
Cc1ccccc1-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
195
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591458
(CHEMBL2324298)
Show SMILES
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1Br
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
480
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591454
(CHEMBL5186962)
Show SMILES
Cc1cccc(c1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
1.30E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591462
(CHEMBL5182665)
Show SMILES
Cc1ccc(cc1)-c1nc2ccc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)cc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.80E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Cytochrome P450 2C8
(Homo sapiens (Human))
BDBM50591479
(CHEMBL5187164)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4.30E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Cytochrome P450 1A2
(Homo sapiens (Human))
BDBM50591479
(CHEMBL5187164)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Cytochrome P450 2C9
(Homo sapiens (Human))
BDBM50591479
(CHEMBL5187164)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Cytochrome P450 2D6
(Homo sapiens (Human))
BDBM50591479
(CHEMBL5187164)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Cytochrome P450 3A4
(Homo sapiens (Human))
BDBM50591479
(CHEMBL5187164)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591477
(CHEMBL5179111)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)C=C)ccc2o1
Show InChI
PDB
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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
5.75E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Cytochrome P450 2C8
(Homo sapiens (Human))
BDBM50591456
(CHEMBL5207130)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
7.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human))
BDBM50591479
(CHEMBL5187164)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1
Show InChI
PDB
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antibodypedia
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PC cid
PC sid
UniChem
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PubMed
n/a
n/a
7.50E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human))
BDBM50591479
(CHEMBL5187164)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
9.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591476
(CHEMBL5172001)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3ccc(s3)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
9.35E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Cytochrome P450 2D6
(Homo sapiens (Human))
BDBM50591456
(CHEMBL5207130)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Cytochrome P450 2C9
(Homo sapiens (Human))
BDBM50591456
(CHEMBL5207130)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Cytochrome P450 1A2
(Homo sapiens (Human))
BDBM50591456
(CHEMBL5207130)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Cytochrome P450 3A4
(Homo sapiens (Human))
BDBM50591456
(CHEMBL5207130)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591471
(CHEMBL5203129)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)C(=O)NC)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>3.30E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human))
BDBM50591479
(CHEMBL5187164)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4.10E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human))
BDBM50591456
(CHEMBL5207130)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human))
BDBM50591456
(CHEMBL5207130)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591475
(CHEMBL5201597)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cccc(c3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591474
(CHEBI:75361 | CHEMBL2447934)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cccc(c3)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human))
BDBM50591456
(CHEMBL5207130)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591470
(CHEMBL5200843)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)C(F)(F)F)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591469
(CHEMBL5170260)
Show SMILES
CCc1ccc2oc(nc2c1)-c1cccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591467
(CHEMBL5169731)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591472
(CHEMBL5171685)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cccnc3Cl)ccc2o1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591464
(CHEMBL5183657)
Show SMILES
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2n1C
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
3.70
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591465
(CHEMBL5201278)
Show SMILES
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc2nc(cn2c1)-c1ccccc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
2.60
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50591466
(CHEMBL5204936)
Show SMILES
Cc1ccc(cc1)-n1nc2ccc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)cc2n1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
4.40
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI:
10.7270/Q2W099XX
More data for this
Ligand-Target Pair
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