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Compile Data Set for Download or QSAR

Found 129 hits with Last Name = 'wessel' and Initial = 'md'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 0.75n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM24923
PNG
(5-(carbamoylamino)-3-[(5R)-6,7,8,9-tetrahydro-5H-b...)
Show SMILES NC(=O)Nc1snc(S[C@@H]2CCCCc3ccccc23)c1C(N)=O |r|
Show InChI InChI=1S/C16H18N4O2S2/c17-13(21)12-14(19-16(18)22)24-20-15(12)23-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8H2,(H2,17,21)(H3,18,19,22)/t11-/m1/s1
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n/an/a<1n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...

Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM24922
PNG
(5-(carbamoylamino)-3-{6,7,8,9-tetrahydro-5H-benzo[...)
Show SMILES NC(=O)Nc1snc(SC2CCCCc3ccccc23)c1C(N)=O
Show InChI InChI=1S/C16H18N4O2S2/c17-13(21)12-14(19-16(18)22)24-20-15(12)23-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8H2,(H2,17,21)(H3,18,19,22)
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n/an/a<1n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...

Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50175419
PNG
(4-(2-phenyl-1H-indol-3-yl)phenol | CHEMBL371012)
Show SMILES Oc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H15NO/c22-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)21-20(19)15-6-2-1-3-7-15/h1-13,21-22H
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n/an/a 1.12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 1.18n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276129
PNG
((2S,4bR,8aR)-4b-Ethyl-7-phenyl-4b,5,6,7,8,8a,9,10-...)
Show SMILES CC[C@@]12C[C@H](O)[C@@H](C[C@H]1CCc1cc(O)ccc21)c1ccccc1 |r|
Show InChI InChI=1S/C22H26O2/c1-2-22-14-21(24)19(15-6-4-3-5-7-15)13-17(22)9-8-16-12-18(23)10-11-20(16)22/h3-7,10-12,17,19,21,23-24H,2,8-9,13-14H2,1H3/t17-,19+,21+,22-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276434
PNG
((2R,4aR,10aR)-4a-Propyl-2-prop-1-ynyl-1,2,3,4,4a,9...)
Show SMILES CCC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r|
Show InChI InChI=1S/C20H26O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h7-8,13,16,21-22H,4-6,10-12,14H2,1-2H3/t16-,19-,20-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276127
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)c1ccccc1 |r|
Show InChI InChI=1S/C29H33NO3/c1-3-28-18-27(31)29(32,23-9-5-4-6-10-23)17-24(28)12-11-21-16-25(13-14-26(21)28)33-19-22-8-7-15-30-20(22)2/h4-10,13-16,24,27,31-32H,3,11-12,17-19H2,1-2H3/t24-,27+,28-,29-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276438
PNG
((2R,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylmeth...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC |r|
Show InChI InChI=1S/C26H31NO2/c1-4-12-25(28)13-14-26(5-2)22(17-25)9-8-20-16-23(10-11-24(20)26)29-18-21-7-6-15-27-19(21)3/h6-7,10-11,15-16,22,28H,5,8-9,13-14,17-18H2,1-3H3/t22-,25-,26-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50175413
PNG
(4-(4-phenyl-5-(trifluoromethyl)isoxazol-3-yl)pheno...)
Show SMILES Oc1ccc(cc1)-c1noc(c1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H10F3NO2/c17-16(18,19)15-13(10-4-2-1-3-5-10)14(20-22-15)11-6-8-12(21)9-7-11/h1-9,21H
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276126
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1 |r|
Show InChI InChI=1S/C22H26O3/c1-2-21-14-20(24)22(25,16-6-4-3-5-7-16)13-17(21)9-8-15-12-18(23)10-11-19(15)21/h3-7,10-12,17,20,23-25H,2,8-9,13-14H2,1H3/t17-,20+,21-,22-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276437
PNG
((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-7-(pyridin-4-...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3ccncc3)ccc21)C#CC |r|
Show InChI InChI=1S/C25H29NO2/c1-3-11-24(27)12-13-25(4-2)21(17-24)6-5-20-16-22(7-8-23(20)25)28-18-19-9-14-26-15-10-19/h7-10,14-16,21,27H,4-6,12-13,17-18H2,1-2H3/t21-,24-,25-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM24899
PNG
(3-{[1-(4-chlorophenyl)ethyl]sulfanyl}-5-[(methylca...)
Show SMILES CNC(=O)Nc1snc(SC(C)c2ccc(Cl)cc2)c1C(N)=O
Show InChI InChI=1S/C14H15ClN4O2S2/c1-7(8-3-5-9(15)6-4-8)22-13-10(11(16)20)12(23-19-13)18-14(21)17-2/h3-7H,1-2H3,(H2,16,20)(H2,17,18,21)
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n/an/a 3n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...

Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276472
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC |r|
Show InChI InChI=1S/C26H31NO3/c1-4-12-26(29)15-21-9-8-19-14-22(30-17-20-7-6-13-27-18(20)3)10-11-23(19)25(21,5-2)16-24(26)28/h6-7,10-11,13-14,21,24,28-29H,5,8-9,15-17H2,1-3H3/t21-,24+,25-,26+/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276171
PNG
((2R,4aS,10aR)-4a-Propenyl-2-prop-1-ynyl-1,2,3,4,4a...)
Show SMILES C\C=C\[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r|
Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,10,13,16,21-22H,5-6,11-12,14H2,1-2H3/b10-4+/t16-,19-,20-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276128
PNG
((2R,3R,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10...)
Show SMILES CC[C@@]12C[C@@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1 |r|
Show InChI InChI=1S/C22H26O3/c1-2-21-14-20(24)22(25,16-6-4-3-5-7-16)13-17(21)9-8-15-12-18(23)10-11-19(15)21/h3-7,10-12,17,20,23-25H,2,8-9,13-14H2,1H3/t17-,20-,21-,22-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM24901
PNG
(3-{[(1R)-1-(4-chlorophenyl)propyl]sulfanyl}-5-[(me...)
Show SMILES CC[C@@H](Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H17ClN4O2S2/c1-3-10(8-4-6-9(16)7-5-8)23-14-11(12(17)21)13(24-20-14)19-15(22)18-2/h4-7,10H,3H2,1-2H3,(H2,17,21)(H2,18,19,22)/t10-/m1/s1
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n/an/a 4n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...

Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276170
PNG
((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r|
Show InChI InChI=1S/C19H24O2/c1-3-9-18(21)10-11-19(4-2)15(13-18)6-5-14-12-16(20)7-8-17(14)19/h7-8,12,15,20-21H,4-6,10-11,13H2,1-2H3/t15-,18-,19-/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276475
PNG
((2R,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylmeth...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)c1ccccc1 |r|
Show InChI InChI=1S/C29H33NO2/c1-3-28-15-16-29(31,24-9-5-4-6-10-24)19-25(28)12-11-22-18-26(13-14-27(22)28)32-20-23-8-7-17-30-21(23)2/h4-10,13-14,17-18,25,31H,3,11-12,15-16,19-20H2,1-2H3/t25-,28-,29-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276168
PNG
((2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1 |r|
Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,13,16,21-22H,2,5-6,10-12,14H2,1H3/t16-,19-,20-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276438
PNG
((2R,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylmeth...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC |r|
Show InChI InChI=1S/C26H31NO2/c1-4-12-25(28)13-14-26(5-2)22(17-25)9-8-20-16-23(10-11-24(20)26)29-18-21-7-6-15-27-19(21)3/h6-7,10-11,15-16,22,28H,5,8-9,13-14,17-18H2,1-3H3/t22-,25-,26-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM24898
PNG
(3-{[(4-chlorophenyl)methyl]sulfanyl}-5-[(methylcar...)
Show SMILES CNC(=O)Nc1snc(SCc2ccc(Cl)cc2)c1C(N)=O
Show InChI InChI=1S/C13H13ClN4O2S2/c1-16-13(20)17-11-9(10(15)19)12(18-22-11)21-6-7-2-4-8(14)5-3-7/h2-5H,6H2,1H3,(H2,15,19)(H2,16,17,20)
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n/an/a 7n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...

Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM24919
PNG
(3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-5...)
Show SMILES CNC(=O)Nc1snc(SC2CCc3cc(Cl)ccc23)c1C(N)=O
Show InChI InChI=1S/C15H15ClN4O2S2/c1-18-15(22)19-13-11(12(17)21)14(20-24-13)23-10-5-2-7-6-8(16)3-4-9(7)10/h3-4,6,10H,2,5H2,1H3,(H2,17,21)(H2,18,19,22)
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n/an/a 8n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...

Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50175413
PNG
(4-(4-phenyl-5-(trifluoromethyl)isoxazol-3-yl)pheno...)
Show SMILES Oc1ccc(cc1)-c1noc(c1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H10F3NO2/c17-16(18,19)15-13(10-4-2-1-3-5-10)14(20-22-15)11-6-8-12(21)9-7-11/h1-9,21H
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n/an/a 8.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM24900
PNG
(3-{[1-(4-chlorophenyl)propyl]sulfanyl}-5-[(methylc...)
Show SMILES CCC(Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H17ClN4O2S2/c1-3-10(8-4-6-9(16)7-5-8)23-14-11(12(17)21)13(24-20-14)19-15(22)18-2/h4-7,10H,3H2,1-2H3,(H2,17,21)(H2,18,19,22)
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n/an/a 9n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...

Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM24918
PNG
(5-(carbamoylamino)-3-[(5-chloro-2,3-dihydro-1H-ind...)
Show SMILES NC(=O)Nc1snc(SC2CCc3cc(Cl)ccc23)c1C(N)=O
Show InChI InChI=1S/C14H13ClN4O2S2/c15-7-2-3-8-6(5-7)1-4-9(8)22-13-10(11(16)20)12(23-19-13)18-14(17)21/h2-3,5,9H,1,4H2,(H2,16,20)(H3,17,18,21)
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n/an/a 10n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...

Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50175412
PNG
(4-(3-(4-hydroxyphenyl)-1H-indol-2-yl)phenol | CHEM...)
Show SMILES Oc1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(O)cc1
Show InChI InChI=1S/C20H15NO2/c22-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)21-20(19)14-7-11-16(23)12-8-14/h1-12,21-23H
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n/an/a 11.9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276168
PNG
((2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1 |r|
Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,13,16,21-22H,2,5-6,10-12,14H2,1H3/t16-,19-,20-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276170
PNG
((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r|
Show InChI InChI=1S/C19H24O2/c1-3-9-18(21)10-11-19(4-2)15(13-18)6-5-14-12-16(20)7-8-17(14)19/h7-8,12,15,20-21H,4-6,10-11,13H2,1-2H3/t15-,18-,19-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50175417
PNG
(4-(2-(3-methylisoxazol-4-yl)-1H-benzo[d]imidazol-1...)
Show SMILES Cc1nocc1-c1nc2ccccc2n1-c1ccc(O)cc1
Show InChI InChI=1S/C17H13N3O2/c1-11-14(10-22-19-11)17-18-15-4-2-3-5-16(15)20(17)12-6-8-13(21)9-7-12/h2-10,21H,1H3
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n/an/a 14.3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276472
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC |r|
Show InChI InChI=1S/C26H31NO3/c1-4-12-26(29)15-21-9-8-19-14-22(30-17-20-7-6-13-27-18(20)3)10-11-23(19)25(21,5-2)16-24(26)28/h6-7,10-11,13-14,21,24,28-29H,5,8-9,15-17H2,1-3H3/t21-,24+,25-,26+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50175415
PNG
(4-(5-phenyl-2-(trifluoromethyl)-1H-imidazol-4-yl)p...)
Show SMILES Oc1ccc(cc1)-c1[nH]c(nc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)15-20-13(10-4-2-1-3-5-10)14(21-15)11-6-8-12(22)9-7-11/h1-9,22H,(H,20,21)
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n/an/a 15.1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM24903
PNG
(3-{[1-(4-chlorophenyl)-2-methylpropyl]sulfanyl}-5-...)
Show SMILES CNC(=O)Nc1snc(SC(C(C)C)c2ccc(Cl)cc2)c1C(N)=O
Show InChI InChI=1S/C16H19ClN4O2S2/c1-8(2)12(9-4-6-10(17)7-5-9)24-15-11(13(18)22)14(25-21-15)20-16(23)19-3/h4-8,12H,1-3H3,(H2,18,22)(H2,19,20,23)
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n/an/a 16n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...

Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276169
PNG
((2R,4aR,10aR)-4a-Methyl-2-prop-1-ynyl-1,2,3,4,4a,9...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(C)[C@H](CCc3cc(O)ccc23)C1 |r|
Show InChI InChI=1S/C18H22O2/c1-3-8-18(20)10-9-17(2)14(12-18)5-4-13-11-15(19)6-7-16(13)17/h6-7,11,14,19-20H,4-5,9-10,12H2,1-2H3/t14-,17-,18-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM24910
PNG
(3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(pyridin-3-...)
Show SMILES NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1cccnc1
Show InChI InChI=1S/C16H13ClN4OS2/c17-11-5-3-10(4-6-11)9-23-16-13(14(18)22)15(24-21-16)20-12-2-1-7-19-8-12/h1-8,20H,9H2,(H2,18,22)
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n/an/a 19n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...

Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276474
PNG
((2R,4aR,10aR)-4a-Ethyl-2-phenyl-1,2,3,4,4a,9,10,10...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1 |r|
Show InChI InChI=1S/C22H26O2/c1-2-21-12-13-22(24,17-6-4-3-5-7-17)15-18(21)9-8-16-14-19(23)10-11-20(16)21/h3-7,10-11,14,18,23-24H,2,8-9,12-13,15H2,1H3/t18-,21-,22-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50175419
PNG
(4-(2-phenyl-1H-indol-3-yl)phenol | CHEMBL371012)
Show SMILES Oc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H15NO/c22-16-12-10-14(11-13-16)19-17-8-4-5-9-18(17)21-20(19)15-6-2-1-3-7-15/h1-13,21-22H
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n/an/a 24n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM24914
PNG
(3-{[(2-chlorophenyl)methyl]sulfanyl}-5-(pyridin-4-...)
Show SMILES NC(=O)c1c(SCc2ccccc2Cl)nsc1Nc1ccncc1
Show InChI InChI=1S/C16H13ClN4OS2/c17-12-4-2-1-3-10(12)9-23-16-13(14(18)22)15(24-21-16)20-11-5-7-19-8-6-11/h1-8H,9H2,(H2,18,22)(H,19,20)
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n/an/a 28n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...

Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50175410
PNG
(4-(2-(1-methyl-1H-pyrrol-2-yl)-1H-benzo[d]imidazol...)
Show SMILES Cn1cccc1-c1nc2ccccc2n1-c1ccc(O)cc1
Show InChI InChI=1S/C18H15N3O/c1-20-12-4-7-17(20)18-19-15-5-2-3-6-16(15)21(18)13-8-10-14(22)11-9-13/h2-12,22H,1H3
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n/an/a 28.1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM24911
PNG
(3-{[1-(4-chlorophenyl)ethyl]sulfanyl}-5-(pyridin-3...)
Show SMILES CC(Sc1nsc(Nc2cccnc2)c1C(N)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN4OS2/c1-10(11-4-6-12(18)7-5-11)24-17-14(15(19)23)16(25-22-17)21-13-3-2-8-20-9-13/h2-10,21H,1H3,(H2,19,23)
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n/an/a 29n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...

Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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Article
PubMed
n/an/a 29.4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276437
PNG
((2R,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-7-(pyridin-4-...)
Show SMILES CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3ccncc3)ccc21)C#CC |r|
Show InChI InChI=1S/C25H29NO2/c1-3-11-24(27)12-13-25(4-2)21(17-24)6-5-20-16-22(7-8-23(20)25)28-18-19-9-14-26-15-10-19/h7-10,14-16,21,27H,4-6,12-13,17-18H2,1-2H3/t21-,24-,25-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM24909
PNG
(3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(pyridin-2-...)
Show SMILES NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccccn1
Show InChI InChI=1S/C16H13ClN4OS2/c17-11-6-4-10(5-7-11)9-23-16-13(14(18)22)15(24-21-16)20-12-3-1-2-8-19-12/h1-8H,9H2,(H2,18,22)(H,19,20)
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n/an/a 33n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...

Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276168
PNG
((2R,4aR,10aR)-4a-Allyl-2-prop-1-ynyl-1,2,3,4,4a,9,...)
Show SMILES CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1 |r|
Show InChI InChI=1S/C20H24O2/c1-3-9-19(22)11-12-20(10-4-2)16(14-19)6-5-15-13-17(21)7-8-18(15)20/h4,7-8,13,16,21-22H,2,5-6,10-12,14H2,1H3/t16-,19-,20-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as supression of NFkappaB-induced IL8 production

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276471
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r|
Show InChI InChI=1S/C19H24O3/c1-3-9-19(22)11-14-6-5-13-10-15(20)7-8-16(13)18(14,4-2)12-17(19)21/h7-8,10,14,17,20-22H,4-6,11-12H2,1-2H3/t14-,17+,18-,19+/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM24904
PNG
(3-{[1-(4-chlorophenyl)butyl]sulfanyl}-5-[(methylca...)
Show SMILES CCCC(Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H19ClN4O2S2/c1-3-4-11(9-5-7-10(17)8-6-9)24-15-12(13(18)22)14(25-21-15)20-16(23)19-2/h5-8,11H,3-4H2,1-2H3,(H2,18,22)(H2,19,20,23)
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n/an/a 35n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...

Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50276127
PNG
((2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylm...)
Show SMILES CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)c1ccccc1 |r|
Show InChI InChI=1S/C29H33NO3/c1-3-28-18-27(31)29(32,23-9-5-4-6-10-23)17-24(28)12-11-21-16-25(13-14-26(21)28)33-19-22-8-7-15-30-20(22)2/h4-10,13-16,24,27,31-32H,3,11-12,17-19H2,1-2H3/t24-,27+,28-,29-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Transrepression activity at GR in human SW1353 cells assessed as inhibition of IL1-stimulated MMP13 production after 24 hrs by whole cell ELISA

J Med Chem 52: 1731-43 (2009)


Article DOI: 10.1021/jm801512v
BindingDB Entry DOI: 10.7270/Q23778M0
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM24913
PNG
(3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(pyridin-4-...)
Show SMILES NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccncc1
Show InChI InChI=1S/C16H13ClN4OS2/c17-11-3-1-10(2-4-11)9-23-16-13(14(18)22)15(24-21-16)20-12-5-7-19-8-6-12/h1-8H,9H2,(H2,18,22)(H,19,20)
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n/an/a 45n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...

Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM24915
PNG
(3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(pyrimidin-...)
Show SMILES NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccncn1
Show InChI InChI=1S/C15H12ClN5OS2/c16-10-3-1-9(2-4-10)7-23-15-12(13(17)22)14(24-21-15)20-11-5-6-18-8-19-11/h1-6,8H,7H2,(H2,17,22)(H,18,19,20)
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n/an/a 47n/an/an/an/a7.422



Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...

Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
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