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13 similar compounds to monomer 18964

Compile data set for download or QSAR
Wt: 393.5
BDBM18961
Purchase
Wt: 546.1
BDBM18962
Purchase
Wt: 420.2
BDBM18963
Purchase
Wt: 266.2
BDBM50158466
Purchase
Wt: 252.2
BDBM50158457
Purchase
Wt: 294.3
BDBM50158458
Wt: 308.3
BDBM50158464
Wt: 282.2
BDBM50342276
Wt: 296.3
BDBM50342277
Wt: 266.2
BDBM50342278
Purchase
Wt: 282.2
BDBM50342283
Wt: 344.4
BDBM50422639
Wt: 370.4
BDBM50422640

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 18961,18962,18963,50158466,50158457,50158458,50158464,50342276,50342277,50342278,50342283,50422639,50422640   
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
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50158458
PNG
((2-ethylbenzofuran-3-yl)(4-hydroxy-3,5-dimethylphe...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(C)c(O)c(C)c1
Show InChI InChI=1S/C19H18O3/c1-4-15-17(14-7-5-6-8-16(14)22-15)19(21)13-9-11(2)18(20)12(3)10-13/h5-10,20H,4H2,1-3H3
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PubMed
33n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 47: 6768-76 (2004)


Article DOI: 10.1021/jm049605m
BindingDB Entry DOI: 10.7270/Q29P3153
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50158458
PNG
((2-ethylbenzofuran-3-yl)(4-hydroxy-3,5-dimethylphe...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(C)c(O)c(C)c1
Show InChI InChI=1S/C19H18O3/c1-4-15-17(14-7-5-6-8-16(14)22-15)19(21)13-9-11(2)18(20)12(3)10-13/h5-10,20H,4H2,1-3H3
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40n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


J Med Chem 47: 6768-76 (2004)


Article DOI: 10.1021/jm049605m
BindingDB Entry DOI: 10.7270/Q29P3153
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50158464
PNG
((2-ethylbenzofuran-3-yl)(4-methoxy-3,5-dimethylphe...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(C)c(OC)c(C)c1
Show InChI InChI=1S/C20H20O3/c1-5-16-18(15-8-6-7-9-17(15)23-16)19(21)14-10-12(2)20(22-4)13(3)11-14/h6-11H,5H2,1-4H3
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250n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 47: 6768-76 (2004)


Article DOI: 10.1021/jm049605m
BindingDB Entry DOI: 10.7270/Q29P3153
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50158457
PNG
((4-hydroxyphenyl)(2-methylbenzofuran-3-yl)methanon...)
Show SMILES Cc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H12O3/c1-10-15(13-4-2-3-5-14(13)19-10)16(18)11-6-8-12(17)9-7-11/h2-9,17H,1H3
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2.50E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 47: 6768-76 (2004)


Article DOI: 10.1021/jm049605m
BindingDB Entry DOI: 10.7270/Q29P3153
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50158466
PNG
((4-methoxyphenyl)(2-methylbenzofuran-3-yl)methanon...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)oc2ccccc12
Show InChI InChI=1S/C17H14O3/c1-11-16(14-5-3-4-6-15(14)20-11)17(18)12-7-9-13(19-2)10-8-12/h3-10H,1-2H3
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4.50E+3n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 47: 6768-76 (2004)


Article DOI: 10.1021/jm049605m
BindingDB Entry DOI: 10.7270/Q29P3153
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM18963
PNG
(4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2-iodophen...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(O)c(I)c1
Show InChI InChI=1S/C19H17IO3/c1-2-3-7-17-18(13-6-4-5-8-16(13)23-17)19(22)12-9-10-15(21)14(20)11-12/h4-6,8-11,21H,2-3,7H2,1H3
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n/an/a 1.00E+5n/an/an/an/a7.622



University of Amsterdam



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


Endocrinology 137: 2807-14 (1996)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2ZK5DX4
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM18961
PNG
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C25H31NO3/c1-4-7-11-23-24(21-10-8-9-12-22(21)29-23)25(27)19-13-15-20(16-14-19)28-18-17-26(5-2)6-3/h8-10,12-16H,4-7,11,17-18H2,1-3H3
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n/an/an/an/a 33n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Antagonist activity at rat TAAR1 expressed in HEK293 cells assessed as intracellular cAMP level


Bioorg Med Chem Lett 18: 5920-2 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.013
BindingDB Entry DOI: 10.7270/Q2HQ3ZQN
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50342276
PNG
((2-Ethyl-5-hydroxybenzofuran-3-yl)(4-hydroxyphenyl...)
Show SMILES CCc1oc2ccc(O)cc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C17H14O4/c1-2-14-16(13-9-12(19)7-8-15(13)21-14)17(20)10-3-5-11(18)6-4-10/h3-9,18-19H,2H2,1H3
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n/an/a 2.49E+3n/an/an/an/an/an/a



University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of human URAT1 expressed in xenopus oocyte assessed as inhibition of [14C]-labelled urate uptake after 60 mins by liquid scintillation cou...


J Med Chem 54: 2701-13 (2011)


Article DOI: 10.1021/jm1015022
BindingDB Entry DOI: 10.7270/Q2P26ZDR
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50342277
PNG
((2-Ethyl-5-methoxybenzofuran-3-yl)(4-hydroxyphenyl...)
Show SMILES CCc1oc2ccc(OC)cc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C18H16O4/c1-3-15-17(18(20)11-4-6-12(19)7-5-11)14-10-13(21-2)8-9-16(14)22-15/h4-10,19H,3H2,1-2H3
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n/an/a 2.46E+3n/an/an/an/an/an/a



University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of human URAT1 expressed in xenopus oocyte assessed as inhibition of [14C]-labelled urate uptake after 60 mins by liquid scintillation cou...


J Med Chem 54: 2701-13 (2011)


Article DOI: 10.1021/jm1015022
BindingDB Entry DOI: 10.7270/Q2P26ZDR
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50342278
PNG
((2-Ethylbenzofuran-3-yl)(4-hydroxyphenyl)methanone...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of human URAT1 expressed in xenopus oocyte assessed as inhibition of [14C]-labelled urate uptake after 60 mins by liquid scintillation cou...


J Med Chem 54: 2701-13 (2011)


Article DOI: 10.1021/jm1015022
BindingDB Entry DOI: 10.7270/Q2P26ZDR
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50342283
PNG
((2-Ethyl-6-hydroxybenzofuran-3-yl)(4-hydroxyphenyl...)
Show SMILES CCc1oc2cc(O)ccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C17H14O4/c1-2-14-16(13-8-7-12(19)9-15(13)21-14)17(20)10-3-5-11(18)6-4-10/h3-9,18-19H,2H2,1H3
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n/an/a 1.13E+3n/an/an/an/an/an/a



University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of human URAT1 expressed in xenopus oocyte assessed as inhibition of [14C]-labelled urate uptake after 60 mins by liquid scintillation cou...


J Med Chem 54: 2701-13 (2011)


Article DOI: 10.1021/jm1015022
BindingDB Entry DOI: 10.7270/Q2P26ZDR
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50422639
PNG
(CHEMBL25079)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C23H20O3/c1-2-3-7-21-22(19-6-4-5-8-20(19)26-21)23(25)17-10-9-16-14-18(24)12-11-15(16)13-17/h4-6,8-14,24H,2-3,7H2,1H3
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n/an/a 3.16E+11n/an/an/an/an/an/a



Leadscope, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tyrosine phosphatase 1B


J Med Chem 47: 5984-94 (2004)


Article DOI: 10.1021/jm0497242
BindingDB Entry DOI: 10.7270/Q2416Z8N
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50422640
PNG
(CHEMBL280138)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H22O3/c1-2-3-7-23-24(21-6-4-5-8-22(21)28-23)25(27)19-11-9-17(10-12-19)18-13-15-20(26)16-14-18/h4-6,8-16,26H,2-3,7H2,1H3
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n/an/a 2.51E+11n/an/an/an/an/an/a



Leadscope, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tyrosine phosphatase 1B


J Med Chem 47: 5984-94 (2004)


Article DOI: 10.1021/jm0497242
BindingDB Entry DOI: 10.7270/Q2416Z8N
More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3) (ED)


(Homo sapiens (Human))
BDBM50342278
PNG
((2-Ethylbenzofuran-3-yl)(4-hydroxyphenyl)methanone...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3
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n/an/a 1.92E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3)


(Homo sapiens (Human))
BDBM50342278
PNG
((2-Ethylbenzofuran-3-yl)(4-hydroxyphenyl)methanone...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM50342278
PNG
((2-Ethylbenzofuran-3-yl)(4-hydroxyphenyl)methanone...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3)


(Homo sapiens (Human))
BDBM50342276
PNG
((2-Ethyl-5-hydroxybenzofuran-3-yl)(4-hydroxyphenyl...)
Show SMILES CCc1oc2ccc(O)cc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C17H14O4/c1-2-14-16(13-9-12(19)7-8-15(13)21-14)17(20)10-3-5-11(18)6-4-10/h3-9,18-19H,2H2,1H3
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n/an/a 7.31E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM18962
PNG
(4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodo...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1
Show InChI InChI=1S/C19H16I2O3/c1-2-3-7-16-17(12-6-4-5-8-15(12)24-16)18(22)11-9-13(20)19(23)14(21)10-11/h4-6,8-10,23H,2-3,7H2,1H3
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n/an/a 3.60E+4n/an/an/an/a7.622



University of Amsterdam



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


Endocrinology 137: 2807-14 (1996)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2ZK5DX4
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM18961
PNG
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C25H31NO3/c1-4-7-11-23-24(21-10-8-9-12-22(21)29-23)25(27)19-13-15-20(16-14-19)28-18-17-26(5-2)6-3/h8-10,12-16H,4-7,11,17-18H2,1-3H3
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n/an/a 9.10E+4n/an/an/an/a7.622



University of Amsterdam



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


Endocrinology 137: 2807-14 (1996)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2ZK5DX4
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Gallus gallus (chicken))
BDBM18963
PNG
(4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2-iodophen...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(O)c(I)c1
Show InChI InChI=1S/C19H17IO3/c1-2-3-7-17-18(13-6-4-5-8-16(13)23-17)19(22)12-9-10-15(21)14(20)11-12/h4-6,8-11,21H,2-3,7H2,1H3
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n/an/a 1.13E+5n/an/an/an/a7.622



University of Amsterdam



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


Endocrinology 137: 2807-14 (1996)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2ZK5DX4
More data for this
Ligand-Target Pair
Eyes absent homolog 3 (EYA3)


(Homo sapiens (Human))
BDBM50158457
PNG
((4-hydroxyphenyl)(2-methylbenzofuran-3-yl)methanon...)
Show SMILES Cc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C16H12O3/c1-10-15(13-4-2-3-5-14(13)19-10)16(18)11-6-8-12(17)9-7-11/h2-9,17H,1H3
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n/an/a 8.11E+4n/an/an/an/an/an/a



CHILDREN HOSPITAL MEDICAL CENTER

US Patent


Assay Description
An inhibitory assay was conducted using the previously described p-nitrophenylphosphate assay (Rayapureddi, J. P. et al. Nature 426, 295-298 (2003))....


US Patent US9725430 (2017)

More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Gallus gallus (chicken))
BDBM18961
PNG
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C25H31NO3/c1-4-7-11-23-24(21-10-8-9-12-22(21)29-23)25(27)19-13-15-20(16-14-19)28-18-17-26(5-2)6-3/h8-10,12-16H,4-7,11,17-18H2,1-3H3
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Article
PubMed
n/an/a 1.62E+5n/an/an/an/a7.622



University of Amsterdam



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


Endocrinology 137: 2807-14 (1996)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2ZK5DX4
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-alpha)


(Gallus gallus (chicken))
BDBM18962
PNG
(4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodo...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1
Show InChI InChI=1S/C19H16I2O3/c1-2-3-7-16-17(12-6-4-5-8-15(12)24-16)18(22)11-9-13(20)19(23)14(21)10-11/h4-6,8-10,23H,2-3,7H2,1H3
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Article
PubMed
n/an/a 3.80E+4n/an/an/an/a7.622



University of Amsterdam



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


Endocrinology 137: 2807-14 (1996)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2ZK5DX4
More data for this
Ligand-Target Pair