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3 similar compounds to monomer 50115668

Compile data set for download or QSAR
Wt: 386.4
BDBM50105667
Wt: 368.4
BDBM50105669
Wt: 464.5
BDBM50105671

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50105667,50105669,50105671   
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


(Homo sapiens (Human))
BDBM50105667
PNG
(CHEMBL98135 | {4-[4-Hydroxy-1-(4-hydroxy-3-isoprop...)
Show SMILES CC(C)c1cc(ccc1O)C(CCCO)c1c(C)cc(OCC(O)=O)cc1C
Show InChI InChI=1/C23H30O5/c1-14(2)20-12-17(7-8-21(20)25)19(6-5-9-24)23-15(3)10-18(11-16(23)4)28-13-22(26)27/h7-8,10-12,14,19,24-25H,5-6,9,13H2,1-4H3,(H,26,27)
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Article
PubMed
n/an/an/a 1.40E+3n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00521-2
BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50105669
PNG
(CHEMBL97613 | {4-[1-(4-Hydroxy-3-isopropyl-phenyl)...)
Show SMILES CC(C)c1cc(ccc1O)C(CC=C)c1c(C)cc(OCC(O)=O)cc1C
Show InChI InChI=1/C23H28O4/c1-6-7-19(17-8-9-21(24)20(12-17)14(2)3)23-15(4)10-18(11-16(23)5)27-13-22(25)26/h6,8-12,14,19,24H,1,7,13H2,2-5H3,(H,25,26)
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Article
PubMed
n/an/an/a 90n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR beta 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00521-2
BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50105669
PNG
(CHEMBL97613 | {4-[1-(4-Hydroxy-3-isopropyl-phenyl)...)
Show SMILES CC(C)c1cc(ccc1O)C(CC=C)c1c(C)cc(OCC(O)=O)cc1C
Show InChI InChI=1/C23H28O4/c1-6-7-19(17-8-9-21(24)20(12-17)14(2)3)23-15(4)10-18(11-16(23)5)27-13-22(25)26/h6,8-12,14,19,24H,1,7,13H2,2-5H3,(H,25,26)
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Article
PubMed
n/an/an/a 430n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00521-2
BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50105667
PNG
(CHEMBL98135 | {4-[4-Hydroxy-1-(4-hydroxy-3-isoprop...)
Show SMILES CC(C)c1cc(ccc1O)C(CCCO)c1c(C)cc(OCC(O)=O)cc1C
Show InChI InChI=1/C23H30O5/c1-14(2)20-12-17(7-8-21(20)25)19(6-5-9-24)23-15(3)10-18(11-16(23)4)28-13-22(26)27/h7-8,10-12,14,19,24-25H,5-6,9,13H2,1-4H3,(H,26,27)
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Article
PubMed
n/an/an/a 3.60E+3n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR beta 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00521-2
BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50105671
PNG
(CHEMBL97187 | {4-[(2,4-Dimethoxy-phenyl)-(4-hydrox...)
Show SMILES COc1ccc(C(c2ccc(O)c(c2)C(C)C)c2c(C)cc(OCC(O)=O)cc2C)c(OC)c1
Show InChI InChI=1/C28H32O6/c1-16(2)23-13-19(7-10-24(23)29)28(22-9-8-20(32-5)14-25(22)33-6)27-17(3)11-21(12-18(27)4)34-15-26(30)31/h7-14,16,28-29H,15H2,1-6H3,(H,30,31)
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Article
PubMed
n/an/an/a 4.20E+3n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR beta 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00521-2
BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50105671
PNG
(CHEMBL97187 | {4-[(2,4-Dimethoxy-phenyl)-(4-hydrox...)
Show SMILES COc1ccc(C(c2ccc(O)c(c2)C(C)C)c2c(C)cc(OCC(O)=O)cc2C)c(OC)c1
Show InChI InChI=1/C28H32O6/c1-16(2)23-13-19(7-10-24(23)29)28(22-9-8-20(32-5)14-25(22)33-6)27-17(3)11-21(12-18(27)4)34-15-26(30)31/h7-14,16,28-29H,15H2,1-6H3,(H,30,31)
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UniChem

Patents


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Article
PubMed
n/an/an/a 1.40E+3n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards thyroid hormone receptor (hTR alpha 1)


Bioorg Med Chem Lett 11: 2821-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00521-2
BindingDB Entry DOI: 10.7270/Q21Z43QR
More data for this
Ligand-Target Pair