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USPatent US8987239

Compile data set for download or QSAR
Found 20 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))		BDBM150276
PNG
(US8987239, 1)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1C1CC1[C@@]21CCC(=O)O1 |r,t:8|
Show InChI InChI=1S/C22H28O3/c1-21-8-6-15-14-5-3-13(23)10-12(14)2-4-16(15)20(21)17-11-18(17)22(21)9-7-19(24)25-22/h10,14-18,20H,2-9,11H2,1H3/t14?,15?,16?,17?,18?,20?,21-,22-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 re...

US Patent US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM150282
PNG
(US8987239, 8)
Show SMILES C[C@]12CCC3C(CC4(CC4)C4=CC(=O)CCC34)C1C1CC1[C@@]21CCC(=O)O1 |r,t:11|
Show InChI InChI=1S/C24H30O3/c1-22-6-4-14-15-3-2-13(25)10-18(15)23(8-9-23)12-17(14)21(22)16-11-19(16)24(22)7-5-20(26)27-24/h10,14-17,19,21H,2-9,11-12H2,1H3/t14?,15?,16?,17?,19?,21?,22-,24-/m0/s1
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n/an/a 8.90n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM150277
PNG
(US8987239, 3)
Show SMILES CC1CC2=CC(=O)CCC2C2CC[C@@]3(C)C(C4CC4[C@@]33CCC(=O)O3)C12 |r,t:3|
Show InChI InChI=1S/C23H30O3/c1-12-9-13-10-14(24)3-4-15(13)16-5-7-22(2)21(20(12)16)17-11-18(17)23(22)8-6-19(25)26-23/h10,12,15-18,20-21H,3-9,11H2,1-2H3/t12?,15?,16?,17?,18?,20?,21?,22-,23-/m0/s1
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n/an/a 12.1n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM150279
PNG
(US8987239, 5)
Show SMILES C[C@]12CCC3C4CCC(=O)C=C4CC(C=C)C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|
Show InChI InChI=1S/C24H30O3/c1-3-13-10-14-11-15(25)4-5-16(14)17-6-8-23(2)22(21(13)17)18-12-19(18)24(23)9-7-20(26)27-24/h3,11,13,16-19,21-22H,1,4-10,12H2,2H3/t13?,16?,17?,18?,19?,21?,22?,23-,24-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM150276
PNG
(US8987239, 1)
Show SMILES C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1C1CC1[C@@]21CCC(=O)O1 |r,t:8|
Show InChI InChI=1S/C22H28O3/c1-21-8-6-15-14-5-3-13(23)10-12(14)2-4-16(15)20(21)17-11-18(17)22(21)9-7-19(24)25-22/h10,14-18,20H,2-9,11H2,1H3/t14?,15?,16?,17?,18?,20?,21-,22-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM150283
PNG
(US8987239, 9)
Show SMILES C[C@]12CCC3C4CCC(=O)C=C4[C@@H]4C[C@@H]4C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|
Show InChI InChI=1S/C23H28O3/c1-22-6-4-13-12-3-2-11(24)8-14(12)15-9-16(15)20(13)21(22)17-10-18(17)23(22)7-5-19(25)26-23/h8,12-13,15-18,20-21H,2-7,9-10H2,1H3/t12?,13?,15-,16-,17?,18?,20?,21?,22-,23-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM150284
PNG
(US8987239, 9)
Show SMILES C[C@]12CCC3C4CCC(=O)C=C4C4CC4C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|
Show InChI InChI=1S/C23H28O3/c1-22-6-4-13-12-3-2-11(24)8-14(12)15-9-16(15)20(13)21(22)17-10-18(17)23(22)7-5-19(25)26-23/h8,12-13,15-18,20-21H,2-7,9-10H2,1H3/t12?,13?,15?,16?,17?,18?,20?,21?,22-,23-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM150282
PNG
(US8987239, 8)
Show SMILES C[C@]12CCC3C(CC4(CC4)C4=CC(=O)CCC34)C1C1CC1[C@@]21CCC(=O)O1 |r,t:11|
Show InChI InChI=1S/C24H30O3/c1-22-6-4-14-15-3-2-13(25)10-18(15)23(8-9-23)12-17(14)21(22)16-11-19(16)24(22)7-5-20(26)27-24/h10,14-17,19,21H,2-9,11-12H2,1H3/t14?,15?,16?,17?,19?,21?,22-,24-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 re...

US Patent US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM150278
PNG
(US8987239, 4)
Show SMILES CCC1CC2=CC(=O)CCC2C2CC[C@@]3(C)C(C4CC4[C@@]33CCC(=O)O3)C12 |r,t:4|
Show InChI InChI=1S/C24H32O3/c1-3-13-10-14-11-15(25)4-5-16(14)17-6-8-23(2)22(21(13)17)18-12-19(18)24(23)9-7-20(26)27-24/h11,13,16-19,21-22H,3-10,12H2,1-2H3/t13?,16?,17?,18?,19?,21?,22?,23-,24-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM150275
PNG
(US8987239, A | US9034856, A)
Show SMILES C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 |r,t:10|
Show InChI InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1
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n/an/a 43.3n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM150280
PNG
(US8987239, 6)
Show SMILES C[C@]12CCC3C4CCC(=O)C=C4CC(C4CC4)C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|
Show InChI InChI=1S/C25H32O3/c1-24-8-6-17-16-5-4-15(26)10-14(16)11-18(13-2-3-13)22(17)23(24)19-12-20(19)25(24)9-7-21(27)28-25/h10,13,16-20,22-23H,2-9,11-12H2,1H3/t16?,17?,18?,19?,20?,22?,23?,24-,25-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM150279
PNG
(US8987239, 5)
Show SMILES C[C@]12CCC3C4CCC(=O)C=C4CC(C=C)C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|
Show InChI InChI=1S/C24H30O3/c1-3-13-10-14-11-15(25)4-5-16(14)17-6-8-23(2)22(21(13)17)18-12-19(18)24(23)9-7-20(26)27-24/h3,11,13,16-19,21-22H,1,4-10,12H2,2H3/t13?,16?,17?,18?,19?,21?,22?,23-,24-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 re...

US Patent US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM150277
PNG
(US8987239, 3)
Show SMILES CC1CC2=CC(=O)CCC2C2CC[C@@]3(C)C(C4CC4[C@@]33CCC(=O)O3)C12 |r,t:3|
Show InChI InChI=1S/C23H30O3/c1-12-9-13-10-14(24)3-4-15(13)16-5-7-22(2)21(20(12)16)17-11-18(17)23(22)8-6-19(25)26-23/h10,12,15-18,20-21H,3-9,11H2,1-2H3/t12?,15?,16?,17?,18?,20?,21?,22-,23-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 re...

US Patent US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM150278
PNG
(US8987239, 4)
Show SMILES CCC1CC2=CC(=O)CCC2C2CC[C@@]3(C)C(C4CC4[C@@]33CCC(=O)O3)C12 |r,t:4|
Show InChI InChI=1S/C24H32O3/c1-3-13-10-14-11-15(25)4-5-16(14)17-6-8-23(2)22(21(13)17)18-12-19(18)24(23)9-7-20(26)27-24/h11,13,16-19,21-22H,3-10,12H2,1-2H3/t13?,16?,17?,18?,19?,21?,22?,23-,24-/m0/s1
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n/an/a 74n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 re...

US Patent US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM150280
PNG
(US8987239, 6)
Show SMILES C[C@]12CCC3C4CCC(=O)C=C4CC(C4CC4)C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|
Show InChI InChI=1S/C25H32O3/c1-24-8-6-17-16-5-4-15(26)10-14(16)11-18(13-2-3-13)22(17)23(24)19-12-20(19)25(24)9-7-21(27)28-25/h10,13,16-20,22-23H,2-9,11-12H2,1H3/t16?,17?,18?,19?,20?,22?,23?,24-,25-/m0/s1
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n/an/a 78n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 re...

US Patent US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM150284
PNG
(US8987239, 9)
Show SMILES C[C@]12CCC3C4CCC(=O)C=C4C4CC4C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|
Show InChI InChI=1S/C23H28O3/c1-22-6-4-13-12-3-2-11(24)8-14(12)15-9-16(15)20(13)21(22)17-10-18(17)23(22)7-5-19(25)26-23/h8,12-13,15-18,20-21H,2-7,9-10H2,1H3/t12?,13?,15?,16?,17?,18?,20?,21?,22-,23-/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 re...

US Patent US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM150283
PNG
(US8987239, 9)
Show SMILES C[C@]12CCC3C4CCC(=O)C=C4[C@@H]4C[C@@H]4C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|
Show InChI InChI=1S/C23H28O3/c1-22-6-4-13-12-3-2-11(24)8-14(12)15-9-16(15)20(13)21(22)17-10-18(17)23(22)7-5-19(25)26-23/h8,12-13,15-18,20-21H,2-7,9-10H2,1H3/t12?,13?,15-,16-,17?,18?,20?,21?,22-,23-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 re...

US Patent US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM150275
PNG
(US8987239, A | US9034856, A)
Show SMILES C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 |r,t:10|
Show InChI InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1
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n/an/a 630n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 re...

US Patent US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM150281
PNG
(US8987239, 7)
Show SMILES C[C@]12CCC3C(C[C@@H](CO)C4=CC(=O)CCC34)C1C1CC1[C@@]21CCC(=O)O1 |r,t:10|
Show InChI InChI=1S/C23H30O4/c1-22-6-4-15-14-3-2-13(25)9-16(14)12(11-24)8-17(15)21(22)18-10-19(18)23(22)7-5-20(26)27-23/h9,12,14-15,17-19,21,24H,2-8,10-11H2,1H3/t12-,14?,15?,17?,18?,19?,21?,22-,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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US Patent
n/an/a 1.10E+3n/an/an/an/an/an/a



Bayer Intellectual Property GbmH

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 US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM150281
PNG
(US8987239, 7)
Show SMILES C[C@]12CCC3C(C[C@@H](CO)C4=CC(=O)CCC34)C1C1CC1[C@@]21CCC(=O)O1 |r,t:10|
Show InChI InChI=1S/C23H30O4/c1-22-6-4-15-14-3-2-13(25)9-16(14)12(11-24)8-17(15)21(22)18-10-19(18)23(22)7-5-20(26)27-23/h9,12,14-15,17-19,21,24H,2-8,10-11H2,1H3/t12-,14?,15?,17?,18?,19?,21?,22-,23-/m0/s1
PDB
MMDB

NCI pathway
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



Bayer Intellectual Property GbmH

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 re...

US Patent US8987239 (2015)


BindingDB Entry DOI: 10.7270/Q23N224G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%