BindingDB logo
myBDB logout

BDBM18887 3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9k::3-[3,5-dibromo-4-(cyclohexylmethoxy)phenyl]propanoic acid::JMC496635 Compound 9::cyclohexyl derivative, 7

SMILES: OC(=O)CCc1cc(Br)c(OCC2CCCCC2)c(Br)c1

InChI Key: InChIKey=UQABRPIJAIHKQN-UHFFFAOYSA-N

Data: 7 IC50  2 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 18887   
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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18887
PNG
(3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9k | 3-[3...)
Show SMILES OC(=O)CCc1cc(Br)c(OCC2CCCCC2)c(Br)c1
Show InChI InChI=1S/C16H20Br2O3/c17-13-8-12(6-7-15(19)20)9-14(18)16(13)21-10-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 190n/an/an/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.


Bioorg Med Chem Lett 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18887
PNG
(3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9k | 3-[3...)
Show SMILES OC(=O)CCc1cc(Br)c(OCC2CCCCC2)c(Br)c1
Show InChI InChI=1S/C16H20Br2O3/c17-13-8-12(6-7-15(19)20)9-14(18)16(13)21-10-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 460n/an/an/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.


Bioorg Med Chem Lett 17: 2018-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.009
BindingDB Entry DOI: 10.7270/Q2R20ZMS
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18887
PNG
(3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9k | 3-[3...)
Show SMILES OC(=O)CCc1cc(Br)c(OCC2CCCCC2)c(Br)c1
Show InChI InChI=1S/C16H20Br2O3/c17-13-8-12(6-7-15(19)20)9-14(18)16(13)21-10-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 460n/a 0.530n/an/a7.04



Karo Bio AB



Assay Description
IIC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18887
PNG
(3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9k | 3-[3...)
Show SMILES OC(=O)CCc1cc(Br)c(OCC2CCCCC2)c(Br)c1
Show InChI InChI=1S/C16H20Br2O3/c17-13-8-12(6-7-15(19)20)9-14(18)16(13)21-10-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 191n/an/an/an/an/an/a



University of Insubria

Curated by ChEMBL


Assay Description
Inhibition of human thyroid hormone receptor beta 1


Bioorg Med Chem 15: 5251-61 (2007)


Article DOI: 10.1016/j.bmc.2007.05.016
BindingDB Entry DOI: 10.7270/Q2PK0HD8
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18887
PNG
(3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9k | 3-[3...)
Show SMILES OC(=O)CCc1cc(Br)c(OCC2CCCCC2)c(Br)c1
Show InChI InChI=1S/C16H20Br2O3/c17-13-8-12(6-7-15(19)20)9-14(18)16(13)21-10-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 460n/an/an/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.


J Med Chem 49: 6635-7 (2006)


Article DOI: 10.1021/jm060521i
BindingDB Entry DOI: 10.7270/Q23B5XDF
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18887
PNG
(3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9k | 3-[3...)
Show SMILES OC(=O)CCc1cc(Br)c(OCC2CCCCC2)c(Br)c1
Show InChI InChI=1S/C16H20Br2O3/c17-13-8-12(6-7-15(19)20)9-14(18)16(13)21-10-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 190n/an/an/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.


J Med Chem 49: 6635-7 (2006)


Article DOI: 10.1021/jm060521i
BindingDB Entry DOI: 10.7270/Q23B5XDF
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (human))
BDBM18887
PNG
(3,5-Dibromo-4-alkoxyphenylalkanoic Acid, 9k | 3-[3...)
Show SMILES OC(=O)CCc1cc(Br)c(OCC2CCCCC2)c(Br)c1
Show InChI InChI=1S/C16H20Br2O3/c17-13-8-12(6-7-15(19)20)9-14(18)16(13)21-10-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 190n/a 0.120n/an/a7.04



Karo Bio AB



Assay Description
IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to i...


J Med Chem 48: 3114-7 (2005)


Article DOI: 10.1021/jm050004k
BindingDB Entry DOI: 10.7270/Q2M906XW
More data for this
Ligand-Target Pair