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There are 30 purchasable compounds for target: C-erbA-alpha

Wt: 244.3
BDBM18827
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Wt: 244.3
BDBM18828
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Wt: 258.3
BDBM18829
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Wt: 496.4
BDBM18911
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Wt: 306.4
BDBM18831
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Wt: 218.3
BDBM18832
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Wt: 645.3
BDBM18957
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Wt: 617.2
BDBM18958
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Wt: 519.4
BDBM18960
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Wt: 393.5
BDBM18961
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Wt: 546.1
BDBM18962
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Wt: 420.2
BDBM18963
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Wt: 294.3
BDBM18964
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Wt: 429.5
BDBM18627
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Wt: 238.7
BDBM18855
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Displayed 1 to 15 (of 30 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 18827,18828,18829,18911,18831,18832,18957,18958,18960,18961,18962,18963,18964,18627,18855   
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))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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>1.25E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Thyroid hormone receptor alpha


J Med Chem 47: 4213-30 (2004)

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


(Homo sapiens (human))
BDBM18829
PNG
(1-(4-heptylphenyl)-3-methylbut-2-en-1-one | Enone,...)
Show SMILES CCCCCCCc1ccc(cc1)C(=O)C=C(C)C
Show InChI InChI=1S/C18H26O/c1-4-5-6-7-8-9-16-10-12-17(13-11-16)18(19)14-15(2)3/h10-14H,4-9H2,1-3H3
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UniChem
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n/an/a>1.00E+5n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)

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


(Homo sapiens (human))
BDBM18831
PNG
((2E)-1-(4-heptylphenyl)-3-phenylprop-2-en-1-one | ...)
Show SMILES CCCCCCCc1ccc(cc1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C22H26O/c1-2-3-4-5-7-12-20-13-16-21(17-14-20)22(23)18-15-19-10-8-6-9-11-19/h6,8-11,13-18H,2-5,7,12H2,1H3/b18-15+
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n/an/a>1.00E+5n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)

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


(Homo sapiens (human))
BDBM18832
PNG
(1-(4-hexylphenyl)propan-1-one | Enone, 4g)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CC
Show InChI InChI=1S/C15H22O/c1-3-5-6-7-8-13-9-11-14(12-10-13)15(16)4-2/h9-12H,3-8H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)

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


(Homo sapiens (human))
BDBM18855
PNG
(2-chloro-1-(4-hexylphenyl)ethan-1-one | alpha-chlo...)
Show SMILES CCCCCCc1ccc(cc1)C(=O)CCl
Show InChI InChI=1S/C14H19ClO/c1-2-3-4-5-6-12-7-9-13(10-8-12)14(16)11-15/h7-10H,2-6,11H2,1H3
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n/an/a 4.77E+4n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18911
PNG
(3-nitro-N-[4-({4-[(3-nitrobenzene)amido]phenyl}met...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(Cc2ccc(NC(=O)c3cccc(c3)[N+]([O-])=O)cc2)cc1
Show InChI InChI=1S/C27H20N4O6/c32-26(20-3-1-5-24(16-20)30(34)35)28-22-11-7-18(8-12-22)15-19-9-13-23(14-10-19)29-27(33)21-4-2-6-25(17-21)31(36)37/h1-14,16-17H,15H2,(H,28,32)(H,29,33)
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n/an/a 1.81E+4n/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 41: 2503-12 (1998)

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


(Gallus gallus (chicken))
BDBM18957
PNG
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
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n/an/a>2.00E+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 hTRalpha.


Endocrinology 137: 2807-14 (1996)

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


(Gallus gallus (chicken))
BDBM18958
PNG
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCNCC)c(I)c1
Show InChI InChI=1S/C23H25I2NO3/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3
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n/an/a 4.70E+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)

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


(Gallus gallus (chicken))
BDBM18960
PNG
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2-iodo...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)c(I)c1
Show InChI InChI=1S/C25H30INO3/c1-4-7-11-23-24(19-10-8-9-12-21(19)30-23)25(28)18-13-14-22(20(26)17-18)29-16-15-27(5-2)6-3/h8-10,12-14,17H,4-7,11,15-16H2,1-3H3
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n/an/a>2.00E+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 hTRalpha.


Endocrinology 137: 2807-14 (1996)

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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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)

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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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)

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)

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


(Gallus gallus (chicken))
BDBM18964
PNG
(4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenol | L ...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3
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n/an/a>2.00E+6n/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)

More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (human))
BDBM18957
PNG
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
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n/an/a 650n/an/an/an/an/an/a



Karo Bio AB

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of binding of [125I]-T3 to human Thyroid hormone receptor alpha1 in CHO-K1 cells


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


(Homo sapiens (human))
BDBM18827
PNG
((2E)-1-(4-heptylphenyl)but-2-en-1-one | Enone, 4b)
Show SMILES CCCCCCCc1ccc(cc1)C(=O)C=CC
Show InChI InChI=1S/C17H24O/c1-3-5-6-7-8-10-15-11-13-16(14-12-15)17(18)9-4-2/h4,9,11-14H,3,5-8,10H2,1-2H3
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PubMed
n/an/a 1.89E+4n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)

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


(Homo sapiens (human))
BDBM18828
PNG
(1-(4-heptylphenyl)-2-methylprop-2-en-1-one | Enone...)
Show SMILES CCCCCCCc1ccc(cc1)C(=O)C(C)=C
Show InChI InChI=1S/C17H24O/c1-4-5-6-7-8-9-15-10-12-16(13-11-15)17(18)14(2)3/h10-13H,2,4-9H2,1,3H3
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n/an/a 5.29E+4n/an/an/an/a7.222



St. Jude Research Hospital



Assay Description
IC50 is the concentration of each compound required to inhibit 50% of the binding between the TR LBD and the SRC2-2 peptide using fluorescence polari...


J Med Chem 50: 5269-5280 (2007)

More data for this
Ligand-Target Pair