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PubMed code 22197140

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))		BDBM50363360
PNG
(CHEMBL1947185)
Show SMILES CC1(C)CN(CCC#N)C(=O)[C@@H]1Oc1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C16H16ClN3O2/c1-16(2)10-20(7-3-6-18)15(21)14(16)22-12-5-4-11(9-19)13(17)8-12/h4-5,8,14H,3,7,10H2,1-2H3/t14-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in human LNAR cells assessed as inhibition of R1881-induced luciferase activity by spectrophotomet...

Bioorg Med Chem Lett 22: 1230-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.068
BindingDB Entry DOI: 10.7270/Q29S1RG3
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50363350
PNG
(CHEMBL1946809)
Show SMILES CC1(C)CN(Cc2nnc(o2)-c2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H19F3N4O3/c1-22(2)13-30(12-18-28-29-20(33-18)14-6-4-3-5-7-14)21(31)19(22)32-16-9-8-15(11-27)17(10-16)23(24,25)26/h3-10,19H,12-13H2,1-2H3/t19-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in human LNAR cells assessed as inhibition of R1881-induced luciferase activity by spectrophotomet...

Bioorg Med Chem Lett 22: 1230-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.068
BindingDB Entry DOI: 10.7270/Q29S1RG3
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50363349
PNG
(CHEMBL1946807)
Show SMILES CC(N1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O)c1nnc(o1)-c1cccc(F)c1
Show InChI InChI=1S/C24H20F4N4O3/c1-13(20-30-31-21(35-20)14-5-4-6-16(25)9-14)32-12-23(2,3)19(22(32)33)34-17-8-7-15(11-29)18(10-17)24(26,27)28/h4-10,13,19H,12H2,1-3H3
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n/an/a 77n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in human LNAR cells assessed as inhibition of R1881-induced luciferase activity by spectrophotomet...

Bioorg Med Chem Lett 22: 1230-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.068
BindingDB Entry DOI: 10.7270/Q29S1RG3
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50363352
PNG
(CHEMBL1946622)
Show SMILES CC1(C)CNC(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C14H13F3N2O2/c1-13(2)7-19-12(20)11(13)21-9-4-3-8(6-18)10(5-9)14(15,16)17/h3-5,11H,7H2,1-2H3,(H,19,20)/t11-/m0/s1
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n/an/a 105n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in human LNAR cells assessed as inhibition of R1881-induced luciferase activity by spectrophotomet...

Bioorg Med Chem Lett 22: 1230-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.068
BindingDB Entry DOI: 10.7270/Q29S1RG3
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50363354
PNG
(CHEMBL1946811)
Show SMILES CC1(C)CN(CCC#N)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C17H16F3N3O2/c1-16(2)10-23(7-3-6-21)15(24)14(16)25-12-5-4-11(9-22)13(8-12)17(18,19)20/h4-5,8,14H,3,7,10H2,1-2H3/t14-/m0/s1
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n/an/a 131n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in human LNAR cells assessed as inhibition of R1881-induced luciferase activity by spectrophotomet...

Bioorg Med Chem Lett 22: 1230-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.068
BindingDB Entry DOI: 10.7270/Q29S1RG3
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50363355
PNG
(CHEMBL1946812)
Show SMILES CC1(C)CN(CCO)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C16H17F3N2O3/c1-15(2)9-21(5-6-22)14(23)13(15)24-11-4-3-10(8-20)12(7-11)16(17,18)19/h3-4,7,13,22H,5-6,9H2,1-2H3/t13-/m0/s1
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n/an/a 263n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in human LNAR cells assessed as inhibition of R1881-induced luciferase activity by spectrophotomet...

Bioorg Med Chem Lett 22: 1230-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.068
BindingDB Entry DOI: 10.7270/Q29S1RG3
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50363353
PNG
(CHEMBL1946805)
Show SMILES CC(=O)CN1CC(C)(C)[C@@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C17H17F3N2O3/c1-10(23)8-22-9-16(2,3)14(15(22)24)25-12-5-4-11(7-21)13(6-12)17(18,19)20/h4-6,14H,8-9H2,1-3H3/t14-/m0/s1
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n/an/a 266n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in human LNAR cells assessed as inhibition of R1881-induced luciferase activity by spectrophotomet...

Bioorg Med Chem Lett 22: 1230-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.068
BindingDB Entry DOI: 10.7270/Q29S1RG3
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50353559
PNG
(CHEMBL1830786)
Show SMILES COC(=O)CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C17H17F3N2O4/c1-16(2)9-22(8-13(23)25-3)15(24)14(16)26-11-5-4-10(7-21)12(6-11)17(18,19)20/h4-6,14H,8-9H2,1-3H3
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n/an/a 303n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in human LNAR cells assessed as inhibition of R1881-induced luciferase activity by spectrophotomet...

Bioorg Med Chem Lett 22: 1230-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.068
BindingDB Entry DOI: 10.7270/Q29S1RG3
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50363356
PNG
(CHEMBL1947177)
Show SMILES CC(CO)N1CC(C)(C)[C@@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C17H19F3N2O3/c1-10(8-23)22-9-16(2,3)14(15(22)24)25-12-5-4-11(7-21)13(6-12)17(18,19)20/h4-6,10,14,23H,8-9H2,1-3H3/t10?,14-/m0/s1
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n/an/a 337n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in human LNAR cells assessed as inhibition of R1881-induced luciferase activity by spectrophotomet...

Bioorg Med Chem Lett 22: 1230-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.068
BindingDB Entry DOI: 10.7270/Q29S1RG3
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50363359
PNG
(CHEMBL1947183)
Show SMILES CC(CO)CN1CC(C)(C)[C@@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C18H21F3N2O3/c1-11(9-24)8-23-10-17(2,3)15(16(23)25)26-13-5-4-12(7-22)14(6-13)18(19,20)21/h4-6,11,15,24H,8-10H2,1-3H3/t11?,15-/m0/s1
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n/an/a 371n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in human LNAR cells assessed as inhibition of R1881-induced luciferase activity by spectrophotomet...

Bioorg Med Chem Lett 22: 1230-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.068
BindingDB Entry DOI: 10.7270/Q29S1RG3
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50363356
PNG
(CHEMBL1947177)
Show SMILES CC(CO)N1CC(C)(C)[C@@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C17H19F3N2O3/c1-10(8-23)22-9-16(2,3)14(15(22)24)25-12-5-4-11(7-21)13(6-12)17(18,19)20/h4-6,10,14,23H,8-9H2,1-3H3/t10?,14-/m0/s1
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n/an/a 371n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in human LNAR cells assessed as inhibition of R1881-induced luciferase activity by spectrophotomet...

Bioorg Med Chem Lett 22: 1230-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.068
BindingDB Entry DOI: 10.7270/Q29S1RG3
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50363351
PNG
(CHEMBL1946806)
Show SMILES Cc1nnc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)o1 |r|
Show InChI InChI=1S/C18H17F3N4O3/c1-10-23-24-14(27-10)8-25-9-17(2,3)15(16(25)26)28-12-5-4-11(7-22)13(6-12)18(19,20)21/h4-6,15H,8-9H2,1-3H3/t15-/m0/s1
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n/an/a 633n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in human LNAR cells assessed as inhibition of R1881-induced luciferase activity by spectrophotomet...

Bioorg Med Chem Lett 22: 1230-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.068
BindingDB Entry DOI: 10.7270/Q29S1RG3
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50363357
PNG
(CHEMBL1947178)
Show SMILES CC(C)(CO)N1CC(C)(C)[C@@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C18H21F3N2O3/c1-16(2)9-23(17(3,4)10-24)15(25)14(16)26-12-6-5-11(8-22)13(7-12)18(19,20)21/h5-7,14,24H,9-10H2,1-4H3/t14-/m0/s1
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n/an/a 761n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in human LNAR cells assessed as inhibition of R1881-induced luciferase activity by spectrophotomet...

Bioorg Med Chem Lett 22: 1230-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.068
BindingDB Entry DOI: 10.7270/Q29S1RG3
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50363358
PNG
(CHEMBL1947179)
Show SMILES CC(O)CN1CC(C)(C)[C@@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C17H19F3N2O3/c1-10(23)8-22-9-16(2,3)14(15(22)24)25-12-5-4-11(7-21)13(6-12)17(18,19)20/h4-6,10,14,23H,8-9H2,1-3H3/t10?,14-/m0/s1
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n/an/a 977n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in human LNAR cells assessed as inhibition of R1881-induced luciferase activity by spectrophotomet...

Bioorg Med Chem Lett 22: 1230-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.068
BindingDB Entry DOI: 10.7270/Q29S1RG3
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50363358
PNG
(CHEMBL1947179)
Show SMILES CC(O)CN1CC(C)(C)[C@@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C17H19F3N2O3/c1-10(23)8-22-9-16(2,3)14(15(22)24)25-12-5-4-11(7-21)13(6-12)17(18,19)20/h4-6,10,14,23H,8-9H2,1-3H3/t10?,14-/m0/s1
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n/an/a 977n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in human LNAR cells assessed as inhibition of R1881-induced luciferase activity by spectrophotomet...

Bioorg Med Chem Lett 22: 1230-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.068
BindingDB Entry DOI: 10.7270/Q29S1RG3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%