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Compile Data Set for Download or QSAR

Found 483 hits with Last Name = 'chekler' and Initial = 'e'   
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))		BDBM50257270
PNG
(CHEMBL4088158)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1Cl)C#N
Show InChI InChI=1S/C12H9ClN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...

J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50257265
PNG
(CHEMBL4095364)
Show SMILES Cn1c(ccc1-c1c(F)cc(O)cc1F)C#N |(9.8,-30.9,;9.75,-29.36,;8.48,-28.5,;8.91,-27.02,;10.45,-26.97,;10.97,-28.42,;12.44,-28.84,;13.55,-27.78,;13.18,-26.29,;15.03,-28.2,;15.4,-29.71,;16.88,-30.13,;14.29,-30.77,;12.81,-30.34,;11.7,-31.41,;7.02,-29.02,;5.57,-29.54,)|
Show InChI InChI=1S/C12H8F2N2O/c1-16-7(6-15)2-3-11(16)12-9(13)4-8(17)5-10(12)14/h2-5,17H,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...

J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007606
PNG
(CHEMBL3238280)
Show SMILES C[C@](O)(COc1ccc(Br)cc1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17BrN2O3/c1-19(24,12-25-15-7-5-14(20)6-8-15)18(23)22-10-9-16-13(11-21)3-2-4-17(16)22/h2-8,24H,9-10,12H2,1H3/t19-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50257275
PNG
(CHEMBL4065842)
Show SMILES Cc1cc(ccc1O)-c1ccc(C#N)n1C
Show InChI InChI=1S/C13H12N2O/c1-9-7-10(3-6-13(9)16)12-5-4-11(8-14)15(12)2/h3-7,16H,1-2H3
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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...

J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50257272
PNG
(CHEMBL4095883)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1F)C#N
Show InChI InChI=1S/C12H9FN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...

J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))		BDBM50007591
PNG
(CHEMBL3238292)
Show SMILES C[C@](O)(COc1ccc(cc1F)C#N)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H16FN3O3/c1-20(26,12-27-18-6-5-13(10-22)9-16(18)21)19(25)24-8-7-15-14(11-23)3-2-4-17(15)24/h2-6,9,26H,7-8,12H2,1H3/t20-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007595
PNG
(CHEMBL3233069)
Show SMILES COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H19ClN2O4/c1-20(25,12-27-18-7-6-14(26-2)10-16(18)21)19(24)23-9-8-15-13(11-22)4-3-5-17(15)23/h3-7,10,25H,8-9,12H2,1-2H3/t20-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510530
PNG
(CHEMBL4449293)
Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CCC(C2)N(C)C)C1 |r|
Show InChI InChI=1S/C24H33ClN4O2/c1-16-5-4-11-24(31,13-16)15-26-23(30)22-18-6-9-21(27-20(18)8-7-19(22)25)29-12-10-17(14-29)28(2)3/h6-9,16-17,31H,4-5,10-15H2,1-3H3,(H,26,30)/t16-,17?,24+/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50257274
PNG
(CHEMBL4079377)
Show SMILES Cc1cc(O)ccc1-c1ccc(C#N)n1C
Show InChI InChI=1S/C13H12N2O/c1-9-7-11(16)4-5-12(9)13-6-3-10(8-14)15(13)2/h3-7,16H,1-2H3
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n/an/a 3.70n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...

J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510513
PNG
(CHEMBL4531148)
Show SMILES C[C@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@@H](F)C2)C1 |r|
Show InChI InChI=1S/C22H27ClFN3O2/c1-14-3-2-9-22(29,11-14)13-25-21(28)20-16-4-7-19(27-10-8-15(24)12-27)26-18(16)6-5-17(20)23/h4-7,14-15,29H,2-3,8-13H2,1H3,(H,25,28)/t14-,15+,22-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007590
PNG
(CHEMBL3238291)
Show SMILES C[C@](O)(COc1ccc(cc1Br)C#N)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H16BrN3O3/c1-20(26,12-27-18-6-5-13(10-22)9-16(18)21)19(25)24-8-7-15-14(11-23)3-2-4-17(15)24/h2-6,9,26H,7-8,12H2,1H3/t20-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50257284
PNG
(CHEMBL4072730)
Show SMILES Cc1c(O)ccc(-c2ccc(C#N)n2C)c1C
Show InChI InChI=1S/C14H14N2O/c1-9-10(2)14(17)7-5-12(9)13-6-4-11(8-15)16(13)3/h4-7,17H,1-3H3
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n/an/a 4.90n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...

J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510524
PNG
(CHEMBL4525220)
Show SMILES F[C@@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCCC(F)(F)C3)c(Cl)ccc2n1 |r|
Show InChI InChI=1S/C21H23ClF3N3O/c22-16-4-5-17-15(3-6-18(27-17)28-9-7-14(23)12-28)19(16)20(29)26-11-13-2-1-8-21(24,25)10-13/h3-6,13-14H,1-2,7-12H2,(H,26,29)/t13?,14-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007596
PNG
(CHEMBL3233070)
Show SMILES C[C@](O)(COc1ccc(Cl)cc1F)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H16ClFN2O3/c1-19(25,11-26-17-6-5-13(20)9-15(17)21)18(24)23-8-7-14-12(10-22)3-2-4-16(14)23/h2-6,9,25H,7-8,11H2,1H3/t19-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510530
PNG
(CHEMBL4449293)
Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CCC(C2)N(C)C)C1 |r|
Show InChI InChI=1S/C24H33ClN4O2/c1-16-5-4-11-24(31,13-16)15-26-23(30)22-18-6-9-21(27-20(18)8-7-19(22)25)29-12-10-17(14-29)28(2)3/h6-9,16-17,31H,4-5,10-15H2,1-3H3,(H,26,30)/t16-,17?,24+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50257276
PNG
(CHEMBL4087256)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1)C#N
Show InChI InChI=1S/C12H10N2O/c1-14-10(8-13)4-7-12(14)9-2-5-11(15)6-3-9/h2-7,15H,1H3
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n/an/a 6.30n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...

J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50257315
PNG
(CHEMBL4066319)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1C#N)C#N
Show InChI InChI=1S/C13H9N3O/c1-16-10(8-15)2-5-13(16)12-4-3-11(17)6-9(12)7-14/h2-6,17H,1H3
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n/an/a 6.80n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...

J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50257314
PNG
(CHEMBL4103641)
Show SMILES CCc1cc(ccc1O)-c1ccc(C#N)n1C
Show InChI InChI=1S/C14H14N2O/c1-3-10-8-11(4-7-14(10)17)13-6-5-12(9-15)16(13)2/h4-8,17H,3H2,1-2H3
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n/an/a 7.10n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...

J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510514
PNG
(CHEMBL4453695)
Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@H](C2)C(C)(C)O)C1 |r|
Show InChI InChI=1S/C25H34ClN3O3/c1-16-5-4-11-25(32,13-16)15-27-23(30)22-18-6-9-21(28-20(18)8-7-19(22)26)29-12-10-17(14-29)24(2,3)31/h6-9,16-17,31-32H,4-5,10-15H2,1-3H3,(H,27,30)/t16-,17-,25+/m1/s1
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n/an/a 7.40n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50257313
PNG
(CHEMBL4061510)
Show SMILES Cn1c(ccc1-c1ccc(O)c2CCCc12)C#N
Show InChI InChI=1S/C15H14N2O/c1-17-10(9-16)5-7-14(17)12-6-8-15(18)13-4-2-3-11(12)13/h5-8,18H,2-4H2,1H3
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n/an/a 8.10n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...

J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510529
PNG
(CHEMBL4453785)
Show SMILES F[C@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 |r|
Show InChI InChI=1S/C21H23ClF3N3O/c22-16-2-3-17-15(1-4-18(27-17)28-10-7-14(23)12-28)19(16)20(29)26-11-13-5-8-21(24,25)9-6-13/h1-4,13-14H,5-12H2,(H,26,29)/t14-/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007587
PNG
(CHEMBL3238288)
Show SMILES C[C@](O)(COc1ccc(F)cc1C#N)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H16FN3O3/c1-20(26,12-27-18-6-5-15(21)9-14(18)11-23)19(25)24-8-7-16-13(10-22)3-2-4-17(16)24/h2-6,9,26H,7-8,12H2,1H3/t20-/m0/s1
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n/an/a 9.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007597
PNG
(CHEMBL3233071)
Show SMILES C[C@](O)(COc1ccc(Cl)cc1Cl)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H16Cl2N2O3/c1-19(25,11-26-17-6-5-13(20)9-15(17)21)18(24)23-8-7-14-12(10-22)3-2-4-16(14)23/h2-6,9,25H,7-8,11H2,1H3/t19-/m0/s1
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n/an/a 9.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510519
PNG
(CHEMBL4463377)
Show SMILES OCCNC1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1
Show InChI InChI=1S/C23H29ClF2N4O2/c24-18-2-3-19-17(1-4-20(29-19)30-11-7-16(14-30)27-10-12-31)21(18)22(32)28-13-15-5-8-23(25,26)9-6-15/h1-4,15-16,27,31H,5-14H2,(H,28,32)
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n/an/a 10n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007602
PNG
(CHEMBL3238276)
Show SMILES C[C@](O)(COc1ccccc1F)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17FN2O3/c1-19(24,12-25-17-8-3-2-6-15(17)20)18(23)22-10-9-14-13(11-21)5-4-7-16(14)22/h2-8,24H,9-10,12H2,1H3/t19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007588
PNG
(CHEMBL3238289)
Show SMILES C[C@](O)(COc1ccc(F)cc1Br)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H16BrFN2O3/c1-19(25,11-26-17-6-5-13(21)9-15(17)20)18(24)23-8-7-14-12(10-22)3-2-4-16(14)23/h2-6,9,25H,7-8,11H2,1H3/t19-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50257319
PNG
(CHEMBL4088572)
Show SMILES Cn1c(cc(c1C#N)C(F)(F)F)-c1ccc(O)cc1
Show InChI InChI=1S/C13H9F3N2O/c1-18-11(8-2-4-9(19)5-3-8)6-10(12(18)7-17)13(14,15)16/h2-6,19H,1H3
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n/an/a 11n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...

J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007589
PNG
(CHEMBL3238290)
Show SMILES Cc1cc(F)ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H19FN2O3/c1-13-10-15(21)6-7-18(13)26-12-20(2,25)19(24)23-9-8-16-14(11-22)4-3-5-17(16)23/h3-7,10,25H,8-9,12H2,1-2H3/t20-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510519
PNG
(CHEMBL4463377)
Show SMILES OCCNC1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1
Show InChI InChI=1S/C23H29ClF2N4O2/c24-18-2-3-19-17(1-4-20(29-19)30-11-7-16(14-30)27-10-12-31)21(18)22(32)28-13-15-5-8-23(25,26)9-6-15/h1-4,15-16,27,31H,5-14H2,(H,28,32)
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n/an/a 12n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007600
PNG
(CHEMBL3238274)
Show SMILES C[C@](O)(COc1ccc(F)cc1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17FN2O3/c1-19(24,12-25-15-7-5-14(20)6-8-15)18(23)22-10-9-16-13(11-21)3-2-4-17(16)22/h2-8,24H,9-10,12H2,1H3/t19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007586
PNG
(CHEMBL3238287)
Show SMILES C[C@](O)(COc1ccccc1C#N)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H17N3O3/c1-20(25,13-26-18-8-3-2-5-15(18)12-22)19(24)23-10-9-16-14(11-21)6-4-7-17(16)23/h2-8,25H,9-10,13H2,1H3/t20-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510514
PNG
(CHEMBL4453695)
Show SMILES C[C@@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@H](C2)C(C)(C)O)C1 |r|
Show InChI InChI=1S/C25H34ClN3O3/c1-16-5-4-11-25(32,13-16)15-27-23(30)22-18-6-9-21(28-20(18)8-7-19(22)26)29-12-10-17(14-29)24(2,3)31/h6-9,16-17,31-32H,4-5,10-15H2,1-3H3,(H,27,30)/t16-,17-,25+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50257269
PNG
(CHEMBL4073399)
Show SMILES Cn1c(ccc1-c1ccc(O)cc1C(F)(F)F)C#N
Show InChI InChI=1S/C13H9F3N2O/c1-18-8(7-17)2-5-12(18)10-4-3-9(19)6-11(10)13(14,15)16/h2-6,19H,1H3
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n/an/a 15n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...

J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007592
PNG
(CHEMBL3238293)
Show SMILES COc1cc(ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N)C#N |r|
Show InChI InChI=1S/C21H19N3O4/c1-21(26,13-28-18-7-6-14(11-22)10-19(18)27-2)20(25)24-9-8-16-15(12-23)4-3-5-17(16)24/h3-7,10,26H,8-9,13H2,1-2H3/t21-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007584
PNG
(CHEMBL3238285)
Show SMILES C[C@](O)(COc1ccc(cc1)C#N)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H17N3O3/c1-20(25,13-26-16-7-5-14(11-21)6-8-16)19(24)23-10-9-17-15(12-22)3-2-4-18(17)23/h2-8,25H,9-10,13H2,1H3/t20-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50179883
PNG
((4-Isopropylphenyl)-(4-isoquinolin-5-yl-phthalazin...)
Show SMILES CC(C)c1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1
Show InChI InChI=1S/C26H22N4/c1-17(2)18-10-12-20(13-11-18)28-26-24-8-4-3-7-23(24)25(29-30-26)22-9-5-6-19-16-27-15-14-21(19)22/h3-17H,1-2H3,(H,28,30)
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n/an/a 17n/an/an/an/an/an/a



ImClone Systems, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) by HTRF method

Bioorg Med Chem 17: 731-40 (2009)


Article DOI: 10.1016/j.bmc.2008.11.049
BindingDB Entry DOI: 10.7270/Q2W95929
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510516
PNG
(CHEMBL4531747)
Show SMILES OC1(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@H](F)C2)CCCC(F)(F)C1 |r|
Show InChI InChI=1S/C21H23ClF3N3O2/c22-15-3-4-16-14(2-5-17(27-16)28-9-6-13(23)10-28)18(15)19(29)26-12-20(30)7-1-8-21(24,25)11-20/h2-5,13,30H,1,6-12H2,(H,26,29)/t13-,20?/m0/s1
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n/an/a 18n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510525
PNG
(CHEMBL4444631)
Show SMILES O[C@@]1(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@@H](F)C2)CCCC(F)(F)C1 |r|
Show InChI InChI=1S/C21H23ClF3N3O2/c22-15-3-4-16-14(2-5-17(27-16)28-9-6-13(23)10-28)18(15)19(29)26-12-20(30)7-1-8-21(24,25)11-20/h2-5,13,30H,1,6-12H2,(H,26,29)/t13-,20+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510523
PNG
(CHEMBL4440833)
Show SMILES F[C@@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 |r|
Show InChI InChI=1S/C21H23ClF3N3O/c22-16-2-3-17-15(1-4-18(27-17)28-10-7-14(23)12-28)19(16)20(29)26-11-13-5-8-21(24,25)9-6-13/h1-4,13-14H,5-12H2,(H,26,29)/t14-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510515
PNG
(CHEMBL4579375)
Show SMILES COCCOc1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1
Show InChI InChI=1S/C20H23ClF2N2O3/c1-27-10-11-28-17-5-2-14-16(25-17)4-3-15(21)18(14)19(26)24-12-13-6-8-20(22,23)9-7-13/h2-5,13H,6-12H2,1H3,(H,24,26)
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EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510513
PNG
(CHEMBL4531148)
Show SMILES C[C@H]1CCC[C@@](O)(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@@H](F)C2)C1 |r|
Show InChI InChI=1S/C22H27ClFN3O2/c1-14-3-2-9-22(29,11-14)13-25-21(28)20-16-4-7-19(27-10-8-15(24)12-27)26-18(16)6-5-17(20)23/h4-7,14-15,29H,2-3,8-13H2,1H3,(H,25,28)/t14-,15+,22-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510516
PNG
(CHEMBL4531747)
Show SMILES OC1(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@H](F)C2)CCCC(F)(F)C1 |r|
Show InChI InChI=1S/C21H23ClF3N3O2/c22-15-3-4-16-14(2-5-17(27-16)28-9-6-13(23)10-28)18(15)19(29)26-12-20(30)7-1-8-21(24,25)11-20/h2-5,13,30H,1,6-12H2,(H,26,29)/t13-,20?/m0/s1
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n/an/a 27n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510528
PNG
(CHEMBL4586004)
Show SMILES CN(C)[C@@H]1CCN(C1)c1ccc2c(C(=O)NCC3CCC(F)(F)CC3)c(Cl)ccc2n1 |r|
Show InChI InChI=1S/C23H29ClF2N4O/c1-29(2)16-9-12-30(14-16)20-6-3-17-19(28-20)5-4-18(24)21(17)22(31)27-13-15-7-10-23(25,26)11-8-15/h3-6,15-16H,7-14H2,1-2H3,(H,27,31)/t16-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50257278
PNG
(CHEMBL4074555)
Show SMILES Cn1c(ccc1-c1c(Cl)cc(O)cc1Cl)C#N |(33.03,-30.55,;32.98,-29.01,;31.71,-28.14,;32.14,-26.67,;33.68,-26.61,;34.2,-28.07,;35.68,-28.49,;36.78,-27.43,;36.41,-25.93,;38.26,-27.85,;38.63,-29.35,;40.11,-29.78,;37.52,-30.42,;36.04,-29.99,;34.93,-31.05,;30.25,-28.67,;28.81,-29.19,)|
Show InChI InChI=1S/C12H8Cl2N2O/c1-16-7(6-15)2-3-11(16)12-9(13)4-8(17)5-10(12)14/h2-5,17H,1H3
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n/an/a 29n/an/an/an/an/an/a



Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...

J Med Chem 60: 6451-6457 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00373
BindingDB Entry DOI: 10.7270/Q2HH6NH9
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510522
PNG
(CHEMBL4472623)
Show SMILES CC1(C)OB(OC1(C)C)C1=CCCC1 |t:10|
Show InChI InChI=1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)9-7-5-6-8-9/h7H,5-6,8H2,1-4H3
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n/an/a 31n/an/an/an/an/an/a



EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007607
PNG
(CHEMBL3238281)
Show SMILES C[C@](O)(COc1ccc(cc1)C(F)(F)F)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C20H17F3N2O3/c1-19(27,12-28-15-7-5-14(6-8-15)20(21,22)23)18(26)25-10-9-16-13(11-24)3-2-4-17(16)25/h2-8,27H,9-10,12H2,1H3/t19-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50007601
PNG
(CHEMBL3238275)
Show SMILES C[C@](O)(COc1cccc(F)c1)C(=O)N1CCc2c1cccc2C#N |r|
Show InChI InChI=1S/C19H17FN2O3/c1-19(24,12-25-15-6-3-5-14(20)10-15)18(23)22-9-8-16-13(11-21)4-2-7-17(16)22/h2-7,10,24H,8-9,12H2,1H3/t19-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from full length human AR expressed in COS cells after 3.5 hrs by liquid scintillation counting

J Med Chem 57: 2462-71 (2014)


Article DOI: 10.1021/jm401625b
BindingDB Entry DOI: 10.7270/Q2RB763C
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510532
PNG
(CHEMBL4584977)
Show SMILES FC1(F)CCC(CNC(=O)c2c(Cl)ccc3nc(ccc23)C2=CCCC2)CC1 |t:23|
Show InChI InChI=1S/C22H23ClF2N2O/c23-17-6-8-19-16(5-7-18(27-19)15-3-1-2-4-15)20(17)21(28)26-13-14-9-11-22(24,25)12-10-14/h3,5-8,14H,1-2,4,9-13H2,(H,26,28)
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EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510525
PNG
(CHEMBL4444631)
Show SMILES O[C@@]1(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CC[C@@H](F)C2)CCCC(F)(F)C1 |r|
Show InChI InChI=1S/C21H23ClF3N3O2/c22-15-3-4-16-14(2-5-17(27-16)28-9-6-13(23)10-28)18(15)19(29)26-12-20(30)7-1-8-21(24,25)11-20/h2-5,13,30H,1,6-12H2,(H,26,29)/t13-,20+/m1/s1
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EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7R in LPS-stimulated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preincubated for 30 mins fol...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50510531
PNG
(CHEMBL4579740)
Show SMILES FC1(F)CCC(CNC(=O)c2c(Cl)ccc3nc(ccc23)N2CCCC2)CC1
Show InChI InChI=1S/C21H24ClF2N3O/c22-16-4-5-17-15(3-6-18(26-17)27-11-1-2-12-27)19(16)20(28)25-13-14-7-9-21(23,24)10-8-14/h3-6,14H,1-2,7-13H2,(H,25,28)
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EMD Serono Research and Development Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced YO PRO dye uptake preincubated for 20 mi...

Bioorg Med Chem Lett 29: 1660-1664 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.033
BindingDB Entry DOI: 10.7270/Q2GM8BNV
More data for this
Ligand-Target Pair
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