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Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'van dort' and Initial = 'me'   
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
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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0.690n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mibolerone


J Med Chem 43: 3344-7 (2000)


BindingDB Entry DOI: 10.7270/Q2GQ6ZFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50091401
PNG
(4-[3-(4-Hydroxy-butyl)-4,4-dimethyl-5-oxo-2-thioxo...)
Show SMILES CC1(C)N(CCCCO)C(=S)N(C1=O)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C16H18IN3O2S/c1-16(2)14(22)20(15(23)19(16)7-3-4-8-21)12-6-5-11(10-18)13(17)9-12/h5-6,9,21H,3-4,7-8H2,1-2H3
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0.710n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mibolerone


J Med Chem 43: 3344-7 (2000)


BindingDB Entry DOI: 10.7270/Q2GQ6ZFW
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50091401
PNG
(4-[3-(4-Hydroxy-butyl)-4,4-dimethyl-5-oxo-2-thioxo...)
Show SMILES CC1(C)N(CCCCO)C(=S)N(C1=O)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C16H18IN3O2S/c1-16(2)14(22)20(15(23)19(16)7-3-4-8-21)12-6-5-11(10-18)13(17)9-12/h5-6,9,21H,3-4,7-8H2,1-2H3
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0.710n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of rat prostate cytosolic androgen receptor


Bioorg Med Chem Lett 14: 5285-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.031
BindingDB Entry DOI: 10.7270/Q29K4BZG
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM26258
PNG
((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...)
Show SMILES [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H] |c:20|
Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1
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0.75n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand


Bioorg Med Chem Lett 11: 1045-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2WQ5
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM26258
PNG
((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...)
Show SMILES [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H] |c:20|
Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1
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0.75n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of rat prostate cytosolic androgen receptor


Bioorg Med Chem Lett 14: 5285-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.031
BindingDB Entry DOI: 10.7270/Q29K4BZG
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM26258
PNG
((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...)
Show SMILES [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H] |c:20|
Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1
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0.75n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mibolerone


J Med Chem 43: 3344-7 (2000)


BindingDB Entry DOI: 10.7270/Q2GQ6ZFW
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mibolerone


J Med Chem 43: 3344-7 (2000)


BindingDB Entry DOI: 10.7270/Q2GQ6ZFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50153639
PNG
(4-[3-(4-Hydroxy-butyl)-4,4-dimethyl-2,5-dioxo-imid...)
Show SMILES CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C16H18IN3O3/c1-16(2)14(22)20(15(23)19(16)7-3-4-8-21)12-6-5-11(10-18)13(17)9-12/h5-6,9,21H,3-4,7-8H2,1-2H3
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2n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of rat prostate cytosolic androgen receptor


Bioorg Med Chem Lett 14: 5285-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.031
BindingDB Entry DOI: 10.7270/Q29K4BZG
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50091400
PNG
(4-(3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoi...)
Show SMILES CC1(C)N(CCCCO)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H18F3N3O2S/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
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2.20n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mibolerone


J Med Chem 43: 3344-7 (2000)


BindingDB Entry DOI: 10.7270/Q2GQ6ZFW
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50091400
PNG
(4-(3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoi...)
Show SMILES CC1(C)N(CCCCO)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H18F3N3O2S/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
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2.23n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of rat prostate cytosolic androgen receptor


Bioorg Med Chem Lett 14: 5285-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.031
BindingDB Entry DOI: 10.7270/Q29K4BZG
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50153643
PNG
(2-Iodo-4-(3,4,4-trimethyl-5-oxo-2-thioxo-imidazoli...)
Show SMILES CN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C13H12IN3OS/c1-13(2)11(18)17(12(19)16(13)3)9-5-4-8(7-15)10(14)6-9/h4-6H,1-3H3
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2.5n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of rat prostate cytosolic androgen receptor


Bioorg Med Chem Lett 14: 5285-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.031
BindingDB Entry DOI: 10.7270/Q29K4BZG
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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4.90n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand


Bioorg Med Chem Lett 11: 1045-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2WQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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4.90n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of rat prostate cytosolic androgen receptor


Bioorg Med Chem Lett 14: 5285-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.031
BindingDB Entry DOI: 10.7270/Q29K4BZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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7.30n/an/an/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for peripheral benzodiazepine receptor of rat kidney


J Med Chem 31: 2081-6 (1988)


BindingDB Entry DOI: 10.7270/Q2BK1BBK
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50153641
PNG
(2-Iodo-4-(3,4,4-trimethyl-2,5-dioxo-imidazolidin-1...)
Show SMILES CN1C(=O)N(C(=O)C1(C)C)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C13H12IN3O2/c1-13(2)11(18)17(12(19)16(13)3)9-5-4-8(7-15)10(14)6-9/h4-6H,1-3H3
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11n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of rat prostate cytosolic androgen receptor


Bioorg Med Chem Lett 14: 5285-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.031
BindingDB Entry DOI: 10.7270/Q29K4BZG
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50098980
PNG
(4-[3-((E)-3-Iodo-allyl)-4,4-dimethyl-2,5-dioxo-imi...)
Show SMILES CC1(C)N(C\C=C\I)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F3IN3O2/c1-15(2)13(24)23(14(25)22(15)7-3-6-20)11-5-4-10(9-21)12(8-11)16(17,18)19/h3-6,8H,7H2,1-2H3/b6-3+
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13n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand


Bioorg Med Chem Lett 11: 1045-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2WQ5
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50019100
PNG
(5-(4-Chloro-phenyl)-7-iodo-1-methyl-1,3-dihydro-be...)
Show SMILES CN1c2ccc(I)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C16H12ClIN2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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13n/an/an/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for peripheral benzodiazepine receptor of rat kidney


J Med Chem 31: 2081-6 (1988)


BindingDB Entry DOI: 10.7270/Q2BK1BBK
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50019101
PNG
(7-Chloro-5-(4-iodo-phenyl)-1-methyl-1,3-dihydro-be...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(I)cc1 |c:10|
Show InChI InChI=1S/C16H12ClIN2O/c1-20-14-7-4-11(17)8-13(14)16(19-9-15(20)21)10-2-5-12(18)6-3-10/h2-8H,9H2,1H3
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14n/an/an/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for peripheral benzodiazepine receptor of rat kidney


J Med Chem 31: 2081-6 (1988)


BindingDB Entry DOI: 10.7270/Q2BK1BBK
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50153644
PNG
(4-(3-Cyanomethyl-4,4-dimethyl-2,5-dioxo-imidazolid...)
Show SMILES CC1(C)N(CC#N)C(=O)N(C1=O)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C14H11IN4O2/c1-14(2)12(20)19(13(21)18(14)6-5-16)10-4-3-9(8-17)11(15)7-10/h3-4,7H,6H2,1-2H3
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20n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of rat prostate cytosolic androgen receptor


Bioorg Med Chem Lett 14: 5285-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.031
BindingDB Entry DOI: 10.7270/Q29K4BZG
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM25428
PNG
(4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidaz...)
Show SMILES CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
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26n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of rat prostate cytosolic androgen receptor


Bioorg Med Chem Lett 14: 5285-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.031
BindingDB Entry DOI: 10.7270/Q29K4BZG
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM25428
PNG
(4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidaz...)
Show SMILES CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
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26n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand


Bioorg Med Chem Lett 11: 1045-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2WQ5
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50153640
PNG
(2-Iodo-4-[3-(2-methoxy-ethyl)-4,4-dimethyl-5-oxo-2...)
Show SMILES COCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C15H16IN3O2S/c1-15(2)13(20)19(14(22)18(15)6-7-21-3)11-5-4-10(9-17)12(16)8-11/h4-5,8H,6-7H2,1-3H3
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37n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of rat prostate cytosolic androgen receptor


Bioorg Med Chem Lett 14: 5285-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.031
BindingDB Entry DOI: 10.7270/Q29K4BZG
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50098987
PNG
(2-Trifluoromethyl-4-(3,4,4-trimethyl-2,5-dioxo-imi...)
Show SMILES CN1C(=O)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H12F3N3O2/c1-13(2)11(21)20(12(22)19(13)3)9-5-4-8(7-18)10(6-9)14(15,16)17/h4-6H,1-3H3
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37n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand


Bioorg Med Chem Lett 11: 1045-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2WQ5
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50153637
PNG
(4-(3-Allyl-4,4-dimethyl-2,5-dioxo-imidazolidin-1-y...)
Show SMILES CC1(C)N(CC=C)C(=O)N(C1=O)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C15H14IN3O2/c1-4-7-18-14(21)19(13(20)15(18,2)3)11-6-5-10(9-17)12(16)8-11/h4-6,8H,1,7H2,2-3H3
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59n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of rat prostate cytosolic androgen receptor


Bioorg Med Chem Lett 14: 5285-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.031
BindingDB Entry DOI: 10.7270/Q29K4BZG
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50098988
PNG
(4-{3-[3-(4-Iodo-phenyl)-propyl]-4,4-dimethyl-2,5-d...)
Show SMILES CC1(C)N(CCCc2ccc(I)cc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H19F3IN3O2/c1-21(2)19(30)29(17-10-7-15(13-27)18(12-17)22(23,24)25)20(31)28(21)11-3-4-14-5-8-16(26)9-6-14/h5-10,12H,3-4,11H2,1-2H3
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65n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand


Bioorg Med Chem Lett 11: 1045-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2WQ5
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50153635
PNG
(4-(3-Butyl-4,4-dimethyl-2,5-dioxo-imidazolidin-1-y...)
Show SMILES CCCCN1C(=O)N(C(=O)C1(C)C)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C16H18IN3O2/c1-4-5-8-19-15(22)20(14(21)16(19,2)3)12-7-6-11(10-18)13(17)9-12/h6-7,9H,4-5,8H2,1-3H3
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77n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of rat prostate cytosolic androgen receptor


Bioorg Med Chem Lett 14: 5285-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.031
BindingDB Entry DOI: 10.7270/Q29K4BZG
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50153634
PNG
(4-(3-Butyl-4,4-dimethyl-5-oxo-2-thioxo-imidazolidi...)
Show SMILES CCCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C16H18IN3OS/c1-4-5-8-19-15(22)20(14(21)16(19,2)3)12-7-6-11(10-18)13(17)9-12/h6-7,9H,4-5,8H2,1-3H3
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117n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of rat prostate cytosolic androgen receptor


Bioorg Med Chem Lett 14: 5285-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.031
BindingDB Entry DOI: 10.7270/Q29K4BZG
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50098982
PNG
(4-[3-(2-Methoxy-ethyl)-4,4-dimethyl-2,5-dioxo-imid...)
Show SMILES COCCN1C(=O)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H16F3N3O3/c1-15(2)13(23)22(14(24)21(15)6-7-25-3)11-5-4-10(9-20)12(8-11)16(17,18)19/h4-5,8H,6-7H2,1-3H3
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120n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand


Bioorg Med Chem Lett 11: 1045-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2WQ5
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50098981
PNG
(4-[3-(3-Iodo-benzyl)-4,4-dimethyl-2,5-dioxo-imidaz...)
Show SMILES CC1(C)N(Cc2cccc(I)c2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H15F3IN3O2/c1-19(2)17(28)27(15-7-6-13(10-25)16(9-15)20(21,22)23)18(29)26(19)11-12-4-3-5-14(24)8-12/h3-9H,11H2,1-2H3
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123n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand


Bioorg Med Chem Lett 11: 1045-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2WQ5
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50098983
PNG
(4-[3-(2-Fluoro-ethyl)-4,4-dimethyl-2,5-dioxo-imida...)
Show SMILES CC1(C)N(CCF)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H13F4N3O2/c1-14(2)12(23)22(13(24)21(14)6-5-16)10-4-3-9(8-20)11(7-10)15(17,18)19/h3-4,7H,5-6H2,1-2H3
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141n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand


Bioorg Med Chem Lett 11: 1045-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2WQ5
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50098985
PNG
(4-[3-(4-Iodo-benzyl)-4,4-dimethyl-2,5-dioxo-imidaz...)
Show SMILES CC1(C)N(Cc2ccc(I)cc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H15F3IN3O2/c1-19(2)17(28)27(15-8-5-13(10-25)16(9-15)20(21,22)23)18(29)26(19)11-12-3-6-14(24)7-4-12/h3-9H,11H2,1-2H3
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150n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand


Bioorg Med Chem Lett 11: 1045-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2WQ5
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50098979
PNG
(4-[3-(4-Fluoro-butyl)-4,4-dimethyl-2,5-dioxo-imida...)
Show SMILES CC1(C)N(CCCCF)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H17F4N3O2/c1-16(2)14(25)24(15(26)23(16)8-4-3-7-18)12-6-5-11(10-22)13(9-12)17(19,20)21/h5-6,9H,3-4,7-8H2,1-2H3
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213n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand


Bioorg Med Chem Lett 11: 1045-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2WQ5
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50153638
PNG
(4-(3-Benzyl-4,4-dimethyl-5-oxo-2-thioxo-imidazolid...)
Show SMILES CC1(C)N(Cc2ccccc2)C(=S)N(C1=O)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C19H16IN3OS/c1-19(2)17(24)23(15-9-8-14(11-21)16(20)10-15)18(25)22(19)12-13-6-4-3-5-7-13/h3-10H,12H2,1-2H3
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219n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of rat prostate cytosolic androgen receptor


Bioorg Med Chem Lett 14: 5285-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.031
BindingDB Entry DOI: 10.7270/Q29K4BZG
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50098978
PNG
(4-[3-(3-Fluoro-propyl)-4,4-dimethyl-2,5-dioxo-imid...)
Show SMILES CC1(C)N(CCCF)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H15F4N3O2/c1-15(2)13(24)23(14(25)22(15)7-3-6-17)11-5-4-10(9-21)12(8-11)16(18,19)20/h4-5,8H,3,6-7H2,1-2H3
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321n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand


Bioorg Med Chem Lett 11: 1045-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2WQ5
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50098986
PNG
(4-{3-[3-(3-Iodo-phenyl)-propyl]-4,4-dimethyl-2,5-d...)
Show SMILES CC1(C)N(CCCc2cccc(I)c2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H19F3IN3O2/c1-21(2)19(30)29(17-9-8-15(13-27)18(12-17)22(23,24)25)20(31)28(21)10-4-6-14-5-3-7-16(26)11-14/h3,5,7-9,11-12H,4,6,10H2,1-2H3
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360n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand


Bioorg Med Chem Lett 11: 1045-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2WQ5
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50153642
PNG
(4-(4,4-Dimethyl-2,5-dioxo-imidazolidin-1-yl)-2-iod...)
Show SMILES CC1(C)NC(=O)N(C1=O)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C12H10IN3O2/c1-12(2)10(17)16(11(18)15-12)8-4-3-7(6-14)9(13)5-8/h3-5H,1-2H3,(H,15,18)
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400n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of rat prostate cytosolic androgen receptor


Bioorg Med Chem Lett 14: 5285-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.031
BindingDB Entry DOI: 10.7270/Q29K4BZG
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50098984
PNG
(4-{3-[2-(4-Iodo-phenyl)-ethyl]-4,4-dimethyl-2,5-di...)
Show SMILES CC1(C)N(CCc2ccc(I)cc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F3IN3O2/c1-20(2)18(29)28(16-8-5-14(12-26)17(11-16)21(22,23)24)19(30)27(20)10-9-13-3-6-15(25)7-4-13/h3-8,11H,9-10H2,1-2H3
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415n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand


Bioorg Med Chem Lett 11: 1045-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2WQ5
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50153636
PNG
(4-[4,4-Dimethyl-2,5-dioxo-3-(3-phenyl-propyl)-imid...)
Show SMILES CC1(C)N(CCCc2ccccc2)C(=O)N(C1=O)c1ccc(C#N)c(I)c1
Show InChI InChI=1S/C21H20IN3O2/c1-21(2)19(26)25(17-11-10-16(14-23)18(22)13-17)20(27)24(21)12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3
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639n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of rat prostate cytosolic androgen receptor


Bioorg Med Chem Lett 14: 5285-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.031
BindingDB Entry DOI: 10.7270/Q29K4BZG
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50098977
PNG
(4-{3-[2-(3-Iodo-phenyl)-ethyl]-4,4-dimethyl-2,5-di...)
Show SMILES CC1(C)N(CCc2cccc(I)c2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F3IN3O2/c1-20(2)18(29)28(16-7-6-14(12-26)17(11-16)21(22,23)24)19(30)27(20)9-8-13-4-3-5-15(25)10-13/h3-7,10-11H,8-9H2,1-2H3
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809n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand


Bioorg Med Chem Lett 11: 1045-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2WQ5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50180838
PNG
(CHEMBL3818606)
Show SMILES NCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C15H13F3IN3O2/c16-10-3-2-9(15(23)22-24-6-5-20)14(13(10)18)21-12-4-1-8(19)7-11(12)17/h1-4,7,21H,5-6,20H2,(H,22,23)
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n/an/a 0.00715n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...


J Med Chem 59: 2512-22 (2016)


BindingDB Entry DOI: 10.7270/Q2FB54W9
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50180834
PNG
(CHEMBL3819302)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CCOCCOCCOCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)CC1)N1CCOCC1
Show InChI InChI=1S/C40H44F5IN10O6/c41-28-7-6-27(34(33(28)43)47-30-8-5-26(46)25-29(30)42)37(57)52-62-24-23-61-22-21-60-20-19-59-16-13-53-9-11-54(12-10-53)38-49-39(55-14-17-58-18-15-55)51-40(50-38)56-32-4-2-1-3-31(32)48-36(56)35(44)45/h1-8,25,35,47H,9-24H2,(H,52,57)
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n/an/a 0.0150n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...


J Med Chem 59: 2512-22 (2016)


BindingDB Entry DOI: 10.7270/Q2FB54W9
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50180836
PNG
(CHEMBL3818677)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)CCCCCNCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1
Show InChI InChI=1S/C40H43F5IN11O4/c41-27-11-10-26(34(33(27)43)48-29-12-9-25(46)24-28(29)42)37(59)53-61-21-14-47-13-5-1-2-8-32(58)54-15-17-55(18-16-54)38-50-39(56-19-22-60-23-20-56)52-40(51-38)57-31-7-4-3-6-30(31)49-36(57)35(44)45/h3-4,6-7,9-12,24,35,47-48H,1-2,5,8,13-23H2,(H,53,59)
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n/an/a 0.0190n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...


J Med Chem 59: 2512-22 (2016)


BindingDB Entry DOI: 10.7270/Q2FB54W9
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50180837
PNG
(CHEMBL3819622)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)CCCCCNC(=O)CNCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1
Show InChI InChI=1S/C42H46F5IN12O5/c43-28-11-10-27(36(35(28)45)51-30-12-9-26(48)24-29(30)44)39(63)56-65-21-14-49-25-33(61)50-13-5-1-2-8-34(62)57-15-17-58(18-16-57)40-53-41(59-19-22-64-23-20-59)55-42(54-40)60-32-7-4-3-6-31(32)52-38(60)37(46)47/h3-4,6-7,9-12,24,37,49,51H,1-2,5,8,13-23,25H2,(H,50,61)(H,56,63)
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n/an/a 0.5n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...


J Med Chem 59: 2512-22 (2016)


BindingDB Entry DOI: 10.7270/Q2FB54W9
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50222709
PNG
(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...)
Show SMILES OCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,20,22H,5-6H2,(H,21,23)
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n/an/a 13n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...


J Med Chem 59: 2512-22 (2016)


BindingDB Entry DOI: 10.7270/Q2FB54W9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM104963
PNG
(CHEMBL507361 | US8575391, Q)
Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r|
Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...


J Med Chem 59: 2512-22 (2016)


BindingDB Entry DOI: 10.7270/Q2FB54W9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Mus musculus)
BDBM50180839
PNG
(CHEMBL1998165)
Show SMILES CNCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C16H15F3IN3O2/c1-21-6-7-25-23-16(24)10-3-4-11(17)14(19)15(10)22-13-5-2-9(20)8-12(13)18/h2-5,8,21-22H,6-7H2,1H3,(H,23,24)
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n/an/a 20n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of MEK1 in mouse C26 cells assessed as inhibition of ERK1/2 phosphorylation incubated for 1 hr by Western blotting


J Med Chem 59: 2512-22 (2016)


BindingDB Entry DOI: 10.7270/Q2FB54W9
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50066137
PNG
(CHEMBL3400287)
Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(c3)N3CCCS3(=O)=O)c(=O)oc2c1
Show InChI InChI=1S/C23H24N2O6S/c1-15-19-9-8-18(30-23(27)24(2)3)14-21(19)31-22(26)20(15)13-16-6-4-7-17(12-16)25-10-5-11-32(25,28)29/h4,6-9,12,14H,5,10-11,13H2,1-3H3
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n/an/a 27n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin)


Bioorg Med Chem 23: 1386-94 (2015)


Article DOI: 10.1016/j.bmc.2015.02.053
BindingDB Entry DOI: 10.7270/Q2G162H4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50066141
PNG
(CHEMBL3402993)
Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(c3)[N+]([O-])=O)c(=O)oc2c1
Show InChI InChI=1S/C20H18N2O6/c1-12-16-8-7-15(27-20(24)21(2)3)11-18(16)28-19(23)17(12)10-13-5-4-6-14(9-13)22(25)26/h4-9,11H,10H2,1-3H3
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n/an/a 28n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin)


Bioorg Med Chem 23: 1386-94 (2015)


Article DOI: 10.1016/j.bmc.2015.02.053
BindingDB Entry DOI: 10.7270/Q2G162H4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50066139
PNG
(CHEMBL3400285)
Show SMILES CN(C)C(=O)Oc1ccc2c(C)c(Cc3cccc(NS(=O)(=O)CCCCl)c3)c(=O)oc2c1
Show InChI InChI=1S/C23H25ClN2O6S/c1-15-19-9-8-18(31-23(28)26(2)3)14-21(19)32-22(27)20(15)13-16-6-4-7-17(12-16)25-33(29,30)11-5-10-24/h4,6-9,12,14,25H,5,10-11,13H2,1-3H3
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n/an/a 39n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin)


Bioorg Med Chem 23: 1386-94 (2015)


Article DOI: 10.1016/j.bmc.2015.02.053
BindingDB Entry DOI: 10.7270/Q2G162H4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50180835
PNG
(CHEMBL3819520)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCCCNCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1
Show InChI InChI=1S/C38H41F5IN11O5S/c39-26-9-8-25(32(31(26)41)46-28-10-7-24(44)23-27(28)40)35(56)51-60-19-12-45-11-3-4-22-61(57,58)54-15-13-52(14-16-54)36-48-37(53-17-20-59-21-18-53)50-38(49-36)55-30-6-2-1-5-29(30)47-34(55)33(42)43/h1-2,5-10,23,33,45-46H,3-4,11-22H2,(H,51,56)
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n/an/a 57n/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...


J Med Chem 59: 2512-22 (2016)


BindingDB Entry DOI: 10.7270/Q2FB54W9
More data for this
Ligand-Target Pair
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