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Compile Data Set for Download or QSAR

Found 14 hits of ic50 for UniProtKB: P04278   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Testis-specific androgen-binding protein


(Homo sapiens)
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Inhibition of hSHBG (human sex hormone binding globulin )


J Med Chem 33: 129-32 (1990)


Article DOI: 10.1021/jm00163a021
BindingDB Entry DOI: 10.7270/Q2FJ2HDH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Testis-specific androgen-binding protein


(Homo sapiens)
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human SHBG


J Med Chem 49: 7466-78 (2006)


Article DOI: 10.1021/jm060961+
BindingDB Entry DOI: 10.7270/Q23X87G2
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Testis-specific androgen-binding protein


(Homo sapiens)
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human SHBG


J Med Chem 49: 7466-78 (2006)


Article DOI: 10.1021/jm060961+
BindingDB Entry DOI: 10.7270/Q23X87G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Testis-specific androgen-binding protein


(Homo sapiens)
BDBM50200091
PNG
(8-hydroxy-7a-methyl-4,5,5a,5b,6,7,7a,8,9,10,10a,10...)
Show SMILES CC12CCC3C(CCC4=CC(=O)NCCC34C)C1CCC2O
Show InChI InChI=1S/C19H29NO2/c1-18-9-10-20-17(22)11-12(18)3-4-13-14-5-6-16(21)19(14,2)8-7-15(13)18/h11,13-16,21H,3-10H2,1-2H3,(H,20,22)
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n/an/a 950n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human SHBG


J Med Chem 49: 7466-78 (2006)


Article DOI: 10.1021/jm060961+
BindingDB Entry DOI: 10.7270/Q23X87G2
More data for this
Ligand-Target Pair
Testis-specific androgen-binding protein


(Homo sapiens)
BDBM50240916
PNG
((-)-3,4-divanillyltetrahydrofuran | (3R,4R)-3,4-Bi...)
Show SMILES COc1cc(C[C@H]2COC[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universit£t Bayreuth

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human serum SHBG


J Nat Prod 61: 119-21 (1998)


Article DOI: 10.1021/np9701743
BindingDB Entry DOI: 10.7270/Q25M66M6
More data for this
Ligand-Target Pair
Testis-specific androgen-binding protein


(Homo sapiens)
BDBM50200092
PNG
(4-(4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl)benzene-...)
Show SMILES CCC(C(CC)c1ccc(O)c(F)c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H21FO3/c1-3-13(11-5-7-16(20)15(19)9-11)14(4-2)12-6-8-17(21)18(22)10-12/h5-10,13-14,20-22H,3-4H2,1-2H3
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n/an/a 1.04E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human SHBG


J Med Chem 49: 7466-78 (2006)


Article DOI: 10.1021/jm060961+
BindingDB Entry DOI: 10.7270/Q23X87G2
More data for this
Ligand-Target Pair
Testis-specific androgen-binding protein


(Homo sapiens)
BDBM50200093
PNG
(2-(4-hydroxyphenyl)-1-propyl-2,3-dihydro-1H-inden-...)
Show SMILES CCCC1C(Cc2cc(O)ccc12)c1ccc(O)cc1
Show InChI InChI=1S/C18H20O2/c1-2-3-17-16-9-8-15(20)10-13(16)11-18(17)12-4-6-14(19)7-5-12/h4-10,17-20H,2-3,11H2,1H3
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n/an/a 1.11E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human SHBG


J Med Chem 49: 7466-78 (2006)


Article DOI: 10.1021/jm060961+
BindingDB Entry DOI: 10.7270/Q23X87G2
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Testis-specific androgen-binding protein


(Homo sapiens)
BDBM50166034
PNG
(1-(2,4-Dihydroxy-phenyl)-2-(4-hydroxy-phenyl)-etha...)
Show SMILES Oc1ccc(CC(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C14H12O4/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,15-16,18H,7H2
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n/an/a 1.36E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-DHT binding to human sex hormone-binding globulin (SHBG)


J Med Chem 48: 3203-13 (2005)


Article DOI: 10.1021/jm049087f
BindingDB Entry DOI: 10.7270/Q2J67GFX
More data for this
Ligand-Target Pair
Testis-specific androgen-binding protein


(Homo sapiens)
BDBM50166033
PNG
(4-((1S,2S,5S,6S,9R)-5-Hydroxymethyl-6,8,9-trimethy...)
Show SMILES COc1cc(ccc1O)[C@H]1OC[C@@]2(CO)[C@@H](C)C=C(C)[C@@H]1[C@H]2C
Show InChI InChI=1S/C19H26O4/c1-11-7-12(2)19(9-20)10-23-18(17(11)13(19)3)14-5-6-15(21)16(8-14)22-4/h5-8,12-13,17-18,20-21H,9-10H2,1-4H3/t12-,13+,17+,18+,19-/m0/s1
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n/an/a 2.24E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-DHT binding to human sex hormone-binding globulin (SHBG)


J Med Chem 48: 3203-13 (2005)


Article DOI: 10.1021/jm049087f
BindingDB Entry DOI: 10.7270/Q2J67GFX
More data for this
Ligand-Target Pair
Testis-specific androgen-binding protein


(Homo sapiens)
BDBM50200090
PNG
(4-(4-hydroxy-3-(hydroxymethyl)-5-methylbenzyl)-2-(...)
Show SMILES Cc1cc(Cc2cc(C)c(O)c(CO)c2)cc(CO)c1O
Show InChI InChI=1S/C17H20O4/c1-10-3-12(6-14(8-18)16(10)20)5-13-4-11(2)17(21)15(7-13)9-19/h3-4,6-7,18-21H,5,8-9H2,1-2H3
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n/an/a 4.82E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human SHBG


J Med Chem 49: 7466-78 (2006)


Article DOI: 10.1021/jm060961+
BindingDB Entry DOI: 10.7270/Q23X87G2
More data for this
Ligand-Target Pair
Testis-specific androgen-binding protein


(Homo sapiens)
BDBM50240921
PNG
((-)-matairesinol | (2R,3R)-2,3-Bis(4-hydroxy-3-met...)
Show SMILES COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



Universit£t Bayreuth

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human serum SHBG


J Nat Prod 61: 119-21 (1998)


Article DOI: 10.1021/np9701743
BindingDB Entry DOI: 10.7270/Q25M66M6
More data for this
Ligand-Target Pair
Testis-specific androgen-binding protein


(Homo sapiens)
BDBM50166035
PNG
(4-((1R,2R,5R,6R,9R)-5-Hydroxymethyl-6,8,9-trimethy...)
Show SMILES C[C@@H]1C=C(C)[C@H]2[C@@H](C)[C@]1(CO)CO[C@H]2c1ccc(O)cc1
Show InChI InChI=1S/C18H24O3/c1-11-8-12(2)18(9-19)10-21-17(16(11)13(18)3)14-4-6-15(20)7-5-14/h4-8,12-13,16-17,19-20H,9-10H2,1-3H3/t12-,13-,16+,17+,18-/m1/s1
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n/an/a 1.25E+5n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-DHT binding to human sex hormone-binding globulin (SHBG)


J Med Chem 48: 3203-13 (2005)


Article DOI: 10.1021/jm049087f
BindingDB Entry DOI: 10.7270/Q2J67GFX
More data for this
Ligand-Target Pair
Testis-specific androgen-binding protein


(Homo sapiens)
BDBM50250505
PNG
((-)-(2R,3R)-Secoisolariciresinol | (-)-secoisolari...)
Show SMILES COc1cc(C[C@@H](CO)[C@H](CO)C(O)c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C20H26O7/c1-26-18-8-12(3-5-16(18)23)7-14(10-21)15(11-22)20(25)13-4-6-17(24)19(9-13)27-2/h3-6,8-9,14-15,20-25H,7,10-11H2,1-2H3/t14-,15-,20?/m0/s1
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n/an/a 2.30E+5n/an/an/an/an/an/a



Universit£t Bayreuth

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human serum SHBG


J Nat Prod 61: 119-21 (1998)


Article DOI: 10.1021/np9701743
BindingDB Entry DOI: 10.7270/Q25M66M6
More data for this
Ligand-Target Pair
Testis-specific androgen-binding protein


(Homo sapiens)
BDBM50250487
PNG
((+/-)-enterolactone | CHEMBL465152)
Show SMILES Oc1cccc(CC2COC(=O)C2Cc2cccc(O)c2)c1
Show InChI InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2
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n/an/a 6.20E+5n/an/an/an/an/an/a



Universit£t Bayreuth

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human serum SHBG


J Nat Prod 61: 119-21 (1998)


Article DOI: 10.1021/np9701743
BindingDB Entry DOI: 10.7270/Q25M66M6
More data for this
Ligand-Target Pair