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BDBM50013725 CHEMBL3264936

SMILES: CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(OC)cc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O

InChI Key: InChIKey=LRJPHECSAGPJKE-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50013725   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50013725
PNG
(CHEMBL3264936)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(OC)cc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C43H46N4O4S/c1-6-46-41(44-47(42(46)48)30-32-12-22-37(23-13-32)43(2,3)4)9-7-8-31-10-14-33(15-11-31)34-16-24-38(25-17-34)45-52(49,50)40-28-20-36(21-29-40)35-18-26-39(51-5)27-19-35/h10-29,45H,6-9,30H2,1-5H3
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.48E+4n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Inhibition of human estrogen receptor beta


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50013725
PNG
(CHEMBL3264936)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(OC)cc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C43H46N4O4S/c1-6-46-41(44-47(42(46)48)30-32-12-22-37(23-13-32)43(2,3)4)9-7-8-31-10-14-33(15-11-31)34-16-24-38(25-17-34)45-52(49,50)40-28-20-36(21-29-40)35-18-26-39(51-5)27-19-35/h10-29,45H,6-9,30H2,1-5H3
PDB

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PC cid
PC sid
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Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50013725
PNG
(CHEMBL3264936)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(OC)cc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C43H46N4O4S/c1-6-46-41(44-47(42(46)48)30-32-12-22-37(23-13-32)43(2,3)4)9-7-8-31-10-14-33(15-11-31)34-16-24-38(25-17-34)45-52(49,50)40-28-20-36(21-29-40)35-18-26-39(51-5)27-19-35/h10-29,45H,6-9,30H2,1-5H3
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50013725
PNG
(CHEMBL3264936)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(OC)cc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C43H46N4O4S/c1-6-46-41(44-47(42(46)48)30-32-12-22-37(23-13-32)43(2,3)4)9-7-8-31-10-14-33(15-11-31)34-16-24-38(25-17-34)45-52(49,50)40-28-20-36(21-29-40)35-18-26-39(51-5)27-19-35/h10-29,45H,6-9,30H2,1-5H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PPAR-delta


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50013725
PNG
(CHEMBL3264936)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(OC)cc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C43H46N4O4S/c1-6-46-41(44-47(42(46)48)30-32-12-22-37(23-13-32)43(2,3)4)9-7-8-31-10-14-33(15-11-31)34-16-24-38(25-17-34)45-52(49,50)40-28-20-36(21-29-40)35-18-26-39(51-5)27-19-35/h10-29,45H,6-9,30H2,1-5H3
PDB
MMDB

NCI pathway
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PPAR-gamma


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50013725
PNG
(CHEMBL3264936)
Show SMILES CCn1c(CCCc2ccc(cc2)-c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(OC)cc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Show InChI InChI=1S/C43H46N4O4S/c1-6-46-41(44-47(42(46)48)30-32-12-22-37(23-13-32)43(2,3)4)9-7-8-31-10-14-33(15-11-31)34-16-24-38(25-17-34)45-52(49,50)40-28-20-36(21-29-40)35-18-26-39(51-5)27-19-35/h10-29,45H,6-9,30H2,1-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>6.90E+4n/an/an/an/an/an/a



Inception Sciences

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor-beta


Bioorg Med Chem Lett 24: 2267-72 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33
More data for this
Ligand-Target Pair