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Patent code US8937058

Compile Data Set for Download or QSAR
Found 38 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))		BDBM142638
PNG
(US8937058, 6)
Show SMILES CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:27,t:9|
Show InChI InChI=1S/C22H28O3/c1-2-21-10-7-17-16-6-4-15(23)13-14(16)3-5-18(17)19(21)8-11-22(21)12-9-20(24)25-22/h9,12-13,16-19H,2-8,10-11H2,1H3/t16-,17+,18+,19-,21-,22+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142651
PNG
(US8937058, 18)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:29,t:11|
Show InChI InChI=1S/C23H28O3/c1-21-7-4-15-16-3-2-14(24)12-19(16)22(10-11-22)13-17(15)18(21)5-8-23(21)9-6-20(25)26-23/h6,9,12,15-18H,2-5,7-8,10-11,13H2,1H3/t15-,16-,17-,18+,21+,23-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142649
PNG
(US8937058, 16)
Show SMILES CC[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:30,t:12|
Show InChI InChI=1S/C24H30O3/c1-2-23-8-5-16-17-4-3-15(25)13-20(17)22(11-12-22)14-18(16)19(23)6-9-24(23)10-7-21(26)27-24/h7,10,13,16-19H,2-6,8-9,11-12,14H2,1H3/t16-,17-,18-,19+,23+,24-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142640
PNG
(US8937058, 8A)
Show SMILES CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,28|
Show InChI InChI=1S/C23H30O3/c1-3-22-9-6-18-17-5-4-16(24)13-15(17)12-14(2)21(18)19(22)7-10-23(22)11-8-20(25)26-23/h8,11,13-14,17-19,21H,3-7,9-10,12H2,1-2H3/t14-,17+,18-,19+,21-,22+,23-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142632
PNG
(US8937058, A)
Show SMILES [H][C@@]12C3CC3C3=CC(=O)CC[C@]3(C)C1CC[C@@]1(C)C2C2CC2[C@@]11CCC(=O)C1 |r,t:6|
Show InChI InChI=1S/C25H32O2/c1-23-6-3-13(26)9-19(23)15-10-16(15)21-18(23)5-7-24(2)22(21)17-11-20(17)25(24)8-4-14(27)12-25/h9,15-18,20-22H,3-8,10-12H2,1-2H3/t15?,16?,17?,18?,20?,21-,22?,23-,24+,25+/m1/s1
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n/an/a 43.3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142651
PNG
(US8937058, 18)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:29,t:11|
Show InChI InChI=1S/C23H28O3/c1-21-7-4-15-16-3-2-14(24)12-19(16)22(10-11-22)13-17(15)18(21)5-8-23(21)9-6-20(25)26-23/h6,9,12,15-18H,2-5,7-8,10-11,13H2,1H3/t15-,16-,17-,18+,21+,23-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142638
PNG
(US8937058, 6)
Show SMILES CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:27,t:9|
Show InChI InChI=1S/C22H28O3/c1-2-21-10-7-17-16-6-4-15(23)13-14(16)3-5-18(17)19(21)8-11-22(21)12-9-20(24)25-22/h9,12-13,16-19H,2-8,10-11H2,1H3/t16-,17+,18+,19-,21-,22+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142649
PNG
(US8937058, 16)
Show SMILES CC[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:30,t:12|
Show InChI InChI=1S/C24H30O3/c1-2-23-8-5-16-17-4-3-15(25)13-20(17)22(11-12-22)14-18(16)19(23)6-9-24(23)10-7-21(26)27-24/h7,10,13,16-19H,2-6,8-9,11-12,14H2,1H3/t16-,17-,18-,19+,23+,24-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142643
PNG
(US8937058, 10A)
Show SMILES CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C=C)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,29|
Show InChI InChI=1S/C24H30O3/c1-3-15-13-16-14-17(25)5-6-18(16)19-7-10-23(4-2)20(22(15)19)8-11-24(23)12-9-21(26)27-24/h3,9,12,14-15,18-20,22H,1,4-8,10-11,13H2,2H3/t15-,18+,19-,20+,22-,23+,24-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142641
PNG
(US8937058, 9A)
Show SMILES CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(CC)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12 |r,c:26,t:4|
Show InChI InChI=1S/C24H32O3/c1-3-15-13-16-14-17(25)5-6-18(16)19-7-10-23(4-2)20(22(15)19)8-11-24(23)12-9-21(26)27-24/h9,12,14-15,18-20,22H,3-8,10-11,13H2,1-2H3/t15-,18+,19-,20+,22-,23+,24-/m1/s1
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n/an/a 76n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142635
PNG
(US8937058, 3A)
Show SMILES CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12 |r,c:25,t:4|
Show InChI InChI=1S/C23H30O3/c1-3-14-12-15-13-16(24)4-5-17(15)18-6-9-22(2)19(21(14)18)7-10-23(22)11-8-20(25)26-23/h8,11,13-14,17-19,21H,3-7,9-10,12H2,1-2H3/t14-,17+,18-,19+,21-,22+,23-/m1/s1
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n/an/a 89n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142644
PNG
(US8937058, 11A)
Show SMILES CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C4CC4)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,31|
Show InChI InChI=1S/C25H32O3/c1-2-24-10-7-19-18-6-5-17(26)13-16(18)14-20(15-3-4-15)23(19)21(24)8-11-25(24)12-9-22(27)28-25/h9,12-13,15,18-21,23H,2-8,10-11,14H2,1H3/t18-,19+,20-,21-,23-,24-,25+/m0/s1
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n/an/a 94n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142637
PNG
(US8937058, 5)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC1(CC1)[C@]21OC(=O)C=C1 |r,c:29,t:8|
Show InChI InChI=1S/C23H28O3/c1-21-8-6-17-16-5-3-15(24)12-14(16)2-4-18(17)19(21)13-22(10-11-22)23(21)9-7-20(25)26-23/h7,9,12,16-19H,2-6,8,10-11,13H2,1H3/t16-,17+,18+,19-,21-,23+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142634
PNG
(US8937058, 2A)
Show SMILES C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12 |r,c:24,t:3|
Show InChI InChI=1S/C22H28O3/c1-13-11-14-12-15(23)3-4-16(14)17-5-8-21(2)18(20(13)17)6-9-22(21)10-7-19(24)25-22/h7,10,12-13,16-18,20H,3-6,8-9,11H2,1-2H3/t13-,16+,17-,18+,20-,21+,22-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142639
PNG
(US8937058, 7)
Show SMILES CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,14,27|
Show InChI InChI=1S/C22H26O3/c1-2-21-10-7-17-16-6-4-15(23)13-14(16)3-5-18(17)19(21)8-11-22(21)12-9-20(24)25-22/h3,5,9,12-13,16-19H,2,4,6-8,10-11H2,1H3/t16-,17+,18+,19-,21-,22+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142636
PNG
(US8937058, 4A)
Show SMILES C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C=C)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:10,28|
Show InChI InChI=1S/C23H28O3/c1-3-14-12-15-13-16(24)4-5-17(15)18-6-9-22(2)19(21(14)18)7-10-23(22)11-8-20(25)26-23/h3,8,11,13-14,17-19,21H,1,4-7,9-10,12H2,2H3/t14-,17+,18-,19+,21-,22+,23-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142647
PNG
(US8937058, 14)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:8,27|
Show InChI InChI=1S/C21H25ClO3/c1-20-9-6-13-12-4-5-17(23)19(22)15(12)3-2-14(13)16(20)7-10-21(20)11-8-18(24)25-21/h8,11-14,16H,2-7,9-10H2,1H3/t12-,13-,14-,16+,20+,21-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142640
PNG
(US8937058, 8A)
Show SMILES CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,28|
Show InChI InChI=1S/C23H30O3/c1-3-22-9-6-18-17-5-4-16(24)13-15(17)12-14(2)21(18)19(22)7-10-23(22)11-8-20(25)26-23/h8,11,13-14,17-19,21H,3-7,9-10,12H2,1-2H3/t14-,17+,18-,19+,21-,22+,23-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142646
PNG
(US8937058, 13)
Show SMILES CC[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:9,28|
Show InChI InChI=1S/C22H27ClO3/c1-2-21-10-7-14-13-5-6-18(24)20(23)16(13)4-3-15(14)17(21)8-11-22(21)12-9-19(25)26-22/h9,12-15,17H,2-8,10-11H2,1H3/t13-,14-,15-,17+,21+,22-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142633
PNG
(US8937058, 1)
Show SMILES C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:6,26,t:8|
Show InChI InChI=1S/C21H24O3/c1-20-9-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(20)7-10-21(20)11-8-19(23)24-21/h2,4,8,11-12,15-18H,3,5-7,9-10H2,1H3/t15-,16+,17+,18-,20-,21+/m0/s1
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n/an/a 230n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142645
PNG
(US8937058, 12A)
Show SMILES C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C4CC4)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:10,30|
Show InChI InChI=1S/C24H30O3/c1-23-9-6-18-17-5-4-16(25)12-15(17)13-19(14-2-3-14)22(18)20(23)7-10-24(23)11-8-21(26)27-24/h8,11-12,14,17-20,22H,2-7,9-10,13H2,1H3/t17-,18+,19-,20-,22-,23-,24+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142637
PNG
(US8937058, 5)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC1(CC1)[C@]21OC(=O)C=C1 |r,c:29,t:8|
Show InChI InChI=1S/C23H28O3/c1-21-8-6-17-16-5-3-15(24)12-14(16)2-4-18(17)19(21)13-22(10-11-22)23(21)9-7-20(25)26-23/h7,9,12,16-19H,2-6,8,10-11,13H2,1H3/t16-,17+,18+,19-,21-,23+/m0/s1
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n/an/a 310n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142634
PNG
(US8937058, 2A)
Show SMILES C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12 |r,c:24,t:3|
Show InChI InChI=1S/C22H28O3/c1-13-11-14-12-15(23)3-4-16(14)17-5-8-21(2)18(20(13)17)6-9-22(21)10-7-19(24)25-22/h7,10,12-13,16-18,20H,3-6,8-9,11H2,1-2H3/t13-,16+,17-,18+,20-,21+,22-/m1/s1
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n/an/a 310n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142643
PNG
(US8937058, 10A)
Show SMILES CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C=C)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,29|
Show InChI InChI=1S/C24H30O3/c1-3-15-13-16-14-17(25)5-6-18(16)19-7-10-23(4-2)20(22(15)19)8-11-24(23)12-9-21(26)27-24/h3,9,12,14-15,18-20,22H,1,4-8,10-11,13H2,2H3/t15-,18+,19-,20+,22-,23+,24-/m1/s1
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n/an/a 450n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142644
PNG
(US8937058, 11A)
Show SMILES CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C4CC4)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,31|
Show InChI InChI=1S/C25H32O3/c1-2-24-10-7-19-18-6-5-17(26)13-16(18)14-20(15-3-4-15)23(19)21(24)8-11-25(24)12-9-22(27)28-25/h9,12-13,15,18-21,23H,2-8,10-11,14H2,1H3/t18-,19+,20-,21-,23-,24-,25+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142632
PNG
(US8937058, A)
Show SMILES [H][C@@]12C3CC3C3=CC(=O)CC[C@]3(C)C1CC[C@@]1(C)C2C2CC2[C@@]11CCC(=O)C1 |r,t:6|
Show InChI InChI=1S/C25H32O2/c1-23-6-3-13(26)9-19(23)15-10-16(15)21-18(23)5-7-24(2)22(21)17-11-20(17)25(24)8-4-14(27)12-25/h9,15-18,20-22H,3-8,10-12H2,1-2H3/t15?,16?,17?,18?,20?,21-,22?,23-,24+,25+/m1/s1
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n/an/a 630n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142641
PNG
(US8937058, 9A)
Show SMILES CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(CC)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12 |r,c:26,t:4|
Show InChI InChI=1S/C24H32O3/c1-3-15-13-16-14-17(25)5-6-18(16)19-7-10-23(4-2)20(22(15)19)8-11-24(23)12-9-21(26)27-24/h9,12,14-15,18-20,22H,3-8,10-11,13H2,1-2H3/t15-,18+,19-,20+,22-,23+,24-/m1/s1
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n/an/a 670n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142646
PNG
(US8937058, 13)
Show SMILES CC[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:9,28|
Show InChI InChI=1S/C22H27ClO3/c1-2-21-10-7-14-13-5-6-18(24)20(23)16(13)4-3-15(14)17(21)8-11-22(21)12-9-19(25)26-22/h9,12-15,17H,2-8,10-11H2,1H3/t13-,14-,15-,17+,21+,22-/m1/s1
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n/an/a 750n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142636
PNG
(US8937058, 4A)
Show SMILES C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C=C)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:10,28|
Show InChI InChI=1S/C23H28O3/c1-3-14-12-15-13-16(24)4-5-17(15)18-6-9-22(2)19(21(14)18)7-10-23(22)11-8-20(25)26-23/h3,8,11,13-14,17-19,21H,1,4-7,9-10,12H2,2H3/t14-,17+,18-,19+,21-,22+,23-/m1/s1
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n/an/a 760n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142648
PNG
(US8937058, 15)
Show SMILES CC[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:29,t:11|
Show InChI InChI=1S/C23H30O4/c1-2-22-8-5-17-16-4-3-15(25)12-18(16)14(13-24)11-19(17)20(22)6-9-23(22)10-7-21(26)27-23/h7,10,12,14,16-17,19-20,24H,2-6,8-9,11,13H2,1H3/t14-,16+,17+,19+,20-,22-,23+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142650
PNG
(US8937058, 17)
Show SMILES C[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:28,t:10|
Show InChI InChI=1S/C22H28O4/c1-21-7-4-16-15-3-2-14(24)11-17(15)13(12-23)10-18(16)19(21)5-8-22(21)9-6-20(25)26-22/h6,9,11,13,15-16,18-19,23H,2-5,7-8,10,12H2,1H3/t13-,15+,16+,18+,19-,21-,22+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142650
PNG
(US8937058, 17)
Show SMILES C[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:28,t:10|
Show InChI InChI=1S/C22H28O4/c1-21-7-4-16-15-3-2-14(24)11-17(15)13(12-23)10-18(16)19(21)5-8-22(21)9-6-20(25)26-22/h6,9,11,13,15-16,18-19,23H,2-5,7-8,10,12H2,1H3/t13-,15+,16+,18+,19-,21-,22+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142648
PNG
(US8937058, 15)
Show SMILES CC[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:29,t:11|
Show InChI InChI=1S/C23H30O4/c1-2-22-8-5-17-16-4-3-15(25)12-18(16)14(13-24)11-19(17)20(22)6-9-23(22)10-7-21(26)27-23/h7,10,12,14,16-17,19-20,24H,2-6,8-9,11,13H2,1H3/t14-,16+,17+,19+,20-,22-,23+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142647
PNG
(US8937058, 14)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:8,27|
Show InChI InChI=1S/C21H25ClO3/c1-20-9-6-13-12-4-5-17(23)19(22)15(12)3-2-14(13)16(20)7-10-21(20)11-8-18(24)25-21/h8,11-14,16H,2-7,9-10H2,1H3/t12-,13-,14-,16+,20+,21-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142635
PNG
(US8937058, 3A)
Show SMILES CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12 |r,c:25,t:4|
Show InChI InChI=1S/C23H30O3/c1-3-14-12-15-13-16(24)4-5-17(15)18-6-9-22(2)19(21(14)18)7-10-23(22)11-8-20(25)26-23/h8,11,13-14,17-19,21H,3-7,9-10,12H2,1-2H3/t14-,17+,18-,19+,21-,22+,23-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM142645
PNG
(US8937058, 12A)
Show SMILES C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C4CC4)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:10,30|
Show InChI InChI=1S/C24H30O3/c1-23-9-6-18-17-5-4-16(25)12-15(17)13-19(14-2-3-14)22(18)20(23)7-10-24(23)11-8-21(26)27-24/h8,11-12,14,17-20,22H,2-7,9-10,13H2,1H3/t17-,18+,19-,20-,22-,23-,24+/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Using cytosol from progesterone receptor-expressing insect cells (Hi5), competitive binding to the progesterone receptor was determined from the abil...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142639
PNG
(US8937058, 7)
Show SMILES CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,14,27|
Show InChI InChI=1S/C22H26O3/c1-2-21-10-7-17-16-6-4-15(23)13-14(16)3-5-18(17)19(21)8-11-22(21)12-9-20(24)25-22/h3,5,9,12-13,16-19H,2,4,6-8,10-11H2,1H3/t16-,17+,18+,19-,21-,22+/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM142633
PNG
(US8937058, 1)
Show SMILES C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:6,26,t:8|
Show InChI InChI=1S/C21H24O3/c1-20-9-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(20)7-10-21(20)11-8-19(23)24-21/h2,4,8,11-12,15-18H,3,5-7,9-10H2,1H3/t15-,16+,17+,18-,20-,21+/m0/s1
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The test was carried out as in 1., with the following modifications: cytosol from androgen receptor-expressing insect cells (Hi5) was used, and the r...

US Patent US8937058 (2015)


BindingDB Entry DOI: 10.7270/Q2N29VNG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%