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Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'fallahi' and Initial = 'm'   
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
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
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)
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
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)
Sex hormone-binding globulin


(Homo sapiens (Human))
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 |t:8|
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM240835
PNG
(Diethyl[(3-chloro-4-methylanilinocarbonyl)oxy](2,4...)
Show SMILES CCOP(=O)(OCC)C(OC(=O)Nc1ccc(C)c(Cl)c1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H21Cl3NO5P/c1-4-26-29(25,27-5-2)18(15-9-7-13(20)10-17(15)22)28-19(24)23-14-8-6-12(3)16(21)11-14/h6-11,18H,4-5H2,1-3H3,(H,23,24)
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n/an/a 6.36E+3n/an/an/an/a8.025



Institute for Advanced Studies in Basic Sciences (IASBS)



Assay Description
Inhibitory activities of synthesized α-oxycarbanilinophosphonates were determined at 25°C by the colorimetric method of Ellman et al. [Ellman et...


J Enzyme Inhib Med Chem 28: 576-82 (2013)


Article DOI: 10.3109/14756366.2012.663362
BindingDB Entry DOI: 10.7270/Q20R9N9H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM240836
PNG
(α-Oxycarbanilinophosphonate, 4i)
Show SMILES CCOP(=O)(OCC)C(OC(=O)Nc1ccc(C)c(Cl)c1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H22ClN2O7P/c1-4-27-30(26,28-5-2)18(14-7-10-16(11-8-14)22(24)25)29-19(23)21-15-9-6-13(3)17(20)12-15/h6-12,18H,4-5H2,1-3H3,(H,21,23)
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n/an/a 7.47E+3n/an/an/an/a8.025



Institute for Advanced Studies in Basic Sciences (IASBS)



Assay Description
Inhibitory activities of synthesized α-oxycarbanilinophosphonates were determined at 25°C by the colorimetric method of Ellman et al. [Ellman et...


J Enzyme Inhib Med Chem 28: 576-82 (2013)


Article DOI: 10.3109/14756366.2012.663362
BindingDB Entry DOI: 10.7270/Q20R9N9H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM240834
PNG
(α-Oxycarbanilinophosphonate, 4f)
Show SMILES CCOP(=O)(OCC)C(OC(=O)Nc1ccccc1)\C=C\c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H23N2O7P/c1-3-27-30(26,28-4-2)19(29-20(23)21-17-11-6-5-7-12-17)15-14-16-10-8-9-13-18(16)22(24)25/h5-15,19H,3-4H2,1-2H3,(H,21,23)/b15-14+
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n/an/a 1.04E+4n/an/an/an/a8.025



Institute for Advanced Studies in Basic Sciences (IASBS)



Assay Description
Inhibitory activities of synthesized α-oxycarbanilinophosphonates were determined at 25°C by the colorimetric method of Ellman et al. [Ellman et...


J Enzyme Inhib Med Chem 28: 576-82 (2013)


Article DOI: 10.3109/14756366.2012.663362
BindingDB Entry DOI: 10.7270/Q20R9N9H
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
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
Sex hormone-binding globulin


(Homo sapiens (Human))
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)
Sex hormone-binding globulin


(Homo sapiens (Human))
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
Sex hormone-binding globulin


(Homo sapiens (Human))
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 |t:18,THB:19:18:21:9.10.11,16:15:21:9.10.11|
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
Sex hormone-binding globulin


(Homo sapiens (Human))
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
Sex hormone-binding globulin


(Homo sapiens (Human))
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 |t:2,TLB:0:1:6:12.13.11,4:3:6:12.13.11|
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM240833
PNG
(α-Oxycarbanilinophosphonate, 4d)
Show SMILES CCOP(=O)(OCC)C(OC(=O)Nc1ccccc1)c1ccc(SC)cc1
Show InChI InChI=1S/C19H24NO5PS/c1-4-23-26(22,24-5-2)18(15-11-13-17(27-3)14-12-15)25-19(21)20-16-9-7-6-8-10-16/h6-14,18H,4-5H2,1-3H3,(H,20,21)
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n/an/a 1.61E+5n/an/an/an/a8.025



Institute for Advanced Studies in Basic Sciences (IASBS)



Assay Description
Inhibitory activities of synthesized α-oxycarbanilinophosphonates were determined at 25°C by the colorimetric method of Ellman et al. [Ellman et...


J Enzyme Inhib Med Chem 28: 576-82 (2013)


Article DOI: 10.3109/14756366.2012.663362
BindingDB Entry DOI: 10.7270/Q20R9N9H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM240837
PNG
(α-Oxycarbanilinophosphonate, 4l)
Show SMILES CCOP(=O)(OCC)C(OC(=O)NCc1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C23H26NO5P/c1-3-27-30(26,28-4-2)22(21-16-10-14-19-13-8-9-15-20(19)21)29-23(25)24-17-18-11-6-5-7-12-18/h5-16,22H,3-4,17H2,1-2H3,(H,24,25)
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n/an/a 4.18E+5n/an/an/an/a8.025



Institute for Advanced Studies in Basic Sciences (IASBS)



Assay Description
Inhibitory activities of synthesized α-oxycarbanilinophosphonates were determined at 25°C by the colorimetric method of Ellman et al. [Ellman et...


J Enzyme Inhib Med Chem 28: 576-82 (2013)


Article DOI: 10.3109/14756366.2012.663362
BindingDB Entry DOI: 10.7270/Q20R9N9H
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
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/an/a 0.182n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423497
PNG
(CHEMBL265939 | ZINC 00457465[36])
Show SMILES Cc1c(O)ccc(C(=O)Cc2ccccc2Cl)c1O
Show InChI InChI=1S/C15H13ClO3/c1-9-13(17)7-6-11(15(9)19)14(18)8-10-4-2-3-5-12(10)16/h2-7,17,19H,8H2,1H3
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n/an/an/a 2.19E+3n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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n/an/an/a 955n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423498
PNG
(CHEMBL265940 | ZINC 00334865)
Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)cc2o1
Show InChI InChI=1S/C14H10O3/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H
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n/an/an/a 832n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423499
PNG
(CHEMBL259383 | ZINC 02819939)
Show SMILES COc1cc(\C=N\CCc2ccccc2)ccc1O
Show InChI InChI=1S/C16H17NO2/c1-19-16-11-14(7-8-15(16)18)12-17-10-9-13-5-3-2-4-6-13/h2-8,11-12,18H,9-10H2,1H3/b17-12+
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n/an/an/a 589n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423500
PNG
(CHEMBL259997 | ZINC 00407192)
Show SMILES Cc1c(O)ccc2c(C)c(Cc3ccccc3)c(=O)oc12
Show InChI InChI=1S/C18H16O3/c1-11-14-8-9-16(19)12(2)17(14)21-18(20)15(11)10-13-6-4-3-5-7-13/h3-9,19H,10H2,1-2H3
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n/an/an/a 2.19E+3n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423501
PNG
(CHEMBL406776)
Show SMILES COc1cc(ccc1O)C(=O)OC1CC2CCC1(C)C2(C)I |TLB:20:19:16.15:12.13,21:19:16.15:12.13|
Show InChI InChI=1S/C17H21IO4/c1-16-7-6-11(17(16,2)18)9-14(16)22-15(20)10-4-5-12(19)13(8-10)21-3/h4-5,8,11,14,19H,6-7,9H2,1-3H3
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n/an/an/a 407n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423502
PNG
(CHEMBL259384 | ZINC 00389056[36])
Show SMILES CCc1cc(C(=O)Cc2ccccc2C)c(O)cc1O
Show InChI InChI=1S/C17H18O3/c1-3-12-8-14(17(20)10-15(12)18)16(19)9-13-7-5-4-6-11(13)2/h4-8,10,18,20H,3,9H2,1-2H3
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n/an/an/a 107n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/an/a 3.98E+4n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423503
PNG
(CHEMBL408649)
Show SMILES CC[C@@H]([C@@H](CC)C1CCC(O)CC1)C1CCC(O)CC1 |wU:3.3,2.1,(32.65,-8.73,;31.32,-9.5,;29.98,-8.73,;28.65,-9.49,;28.65,-11.03,;29.98,-11.81,;27.32,-8.72,;27.33,-7.19,;26.01,-6.41,;24.67,-7.18,;23.34,-6.4,;24.66,-8.72,;25.99,-9.5,;29.99,-7.19,;28.65,-6.42,;28.65,-4.87,;29.99,-4.09,;29.98,-2.55,;31.33,-4.87,;31.33,-6.42,)|
Show InChI InChI=1S/C18H34O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h13-20H,3-12H2,1-2H3/t13?,14?,15?,16?,17-,18+
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n/an/an/a 2.88E+4n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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n/an/an/a 954n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423504
PNG
(CHEMBL265178)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)CCCN
Show InChI InChI=1S/C22H37NO3/c1-20-9-6-15(24)12-14(20)4-5-16-17-7-10-22(26,8-3-11-23)21(17,2)13-18(25)19(16)20/h14,16-19,25-26H,3-13,23H2,1-2H3/t14-,16-,17-,18-,19+,20-,21-,22-/m0/s1
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n/an/an/a 1.10E+4n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM19214
PNG
((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)
Show SMILES [H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O |t:21|
Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
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n/an/an/a 4.79E+3n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423505
PNG
(CHEMBL408778)
Show SMILES CC[C@@H]([C@@H](CC)C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C18H34/c1-3-17(15-11-7-5-8-12-15)18(4-2)16-13-9-6-10-14-16/h15-18H,3-14H2,1-2H3/t17-,18+
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n/an/an/a 2.46E+3n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423506
PNG
(4-Tert-Octylphenol | CHEMBL259327 | P-T-Octylpheno...)
Show SMILES CC(C)(C)CC(C)(C)c1ccc(O)cc1
Show InChI InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3
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n/an/an/a 2.14E+3n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423507
PNG
(CHEMBL409022)
Show SMILES C[C@]12CCC3=C4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@@H]2O |c:4,10,13|
Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,4,10,15-17,20H,3,5-9H2,1H3/t15-,16+,17+,18+/m1/s1
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n/an/an/a 1.15E+3n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM51965
PNG
(3-(2-furanyl)-4-(2-methylpropyl)-1H-1,2,4-triazole...)
Show SMILES CC(C)Cn1c(n[nH]c1=S)-c1ccco1
Show InChI InChI=1S/C10H13N3OS/c1-7(2)6-13-9(11-12-10(13)15)8-4-3-5-14-8/h3-5,7H,6H2,1-2H3,(H,12,15)
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n/an/an/a 1.15E+3n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM13775
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:23|
Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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n/an/an/a 631n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50067678
PNG
((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28|
Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
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n/an/an/a 631n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50080092
PNG
((17beta)-17-hydroxyestr-4-en-3-one | 17beta-hydrox...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O |r,t:8|
Show InChI InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
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n/an/an/a 501n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423508
PNG
(17-Hydroxypregnenolone | CHEMBL408706)
Show SMILES CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:10|
Show InChI InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1
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n/an/an/a 437n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50378799
PNG
(CORTISONE)
Show SMILES C[C@]12CC(=O)[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |t:9|
Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,13-15,18,22-23,26H,3-8,10-11H2,1-2H3/t13-,14+,15+,18-,19+,20+,21+/m1/s1
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n/an/an/a 372n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423509
PNG
(CHEMBL410336)
Show SMILES C[C@@H]1C=C2CC(O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)C#C)[C@H]12 |t:2|
Show InChI InChI=1S/C22H32O2/c1-5-22(24)11-8-18-19-14(2)12-15-13-16(23)6-9-20(15,3)17(19)7-10-21(18,22)4/h1,12,14,16-19,23-24H,6-11,13H2,2-4H3/t14-,16?,17+,18+,19-,20+,21+,22+/m1/s1
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n/an/an/a 363n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
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 |r|
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/an/a 309n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423510
PNG
(DESOGESTREL | ORG-2969)
Show SMILES CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:10|
Show InChI InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1
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n/an/an/a 251n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50410506
PNG
(ESTRIOL)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
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n/an/an/a 234n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50187243
PNG
(17-ethinyl-3,17-estradiol | 17-ethinyl-3,17-oestra...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C |r|
Show InChI InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
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n/an/an/a 155n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM8903
PNG
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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n/an/an/a 115n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423511
PNG
(Delalutin | HYDROXYPROGESTERONE)
Show SMILES CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:11|
Show InChI InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
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n/an/an/a 100n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50375319
PNG
(PREGNENOLONE)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:9|
Show InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
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n/an/an/a 71n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM8582
PNG
((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
Show SMILES [H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:21|
Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
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n/an/an/a 42n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM91713
PNG
(Androst-4-en-3,17-dione, 2 | Androst-4-ene-3,17-di...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O |t:8|
Show InChI InChI=1S/C19H26O2/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/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
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n/an/an/a 35n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423512
PNG
(CHEMBL260341)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)C[C@H](CCCCCCN)[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C25H43NO2/c1-24-13-12-22-20(21(24)10-11-23(24)28)9-8-18-16-19(27)15-17(25(18,22)2)7-5-3-4-6-14-26/h17-18,20-23,28H,3-16,26H2,1-2H3/t17-,18-,20-,21-,22-,23-,24-,25-/m0/s1
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n/an/an/a 30n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50223368
PNG
(3beta-hydroxyandrost-5-en-17-one | CHEMBL90593 | D...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |r,t:7|
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/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
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n/an/an/a 14n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423513
PNG
(CHEMBL409084)
Show SMILES CC[C@]12CC(=C)C3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C |t:10|
Show InChI InChI=1S/C23H32O2/c1-5-22-14-15(3)20-18(19(22)10-12-23(22,25)6-2)8-7-16-13-17(24)9-11-21(16,20)4/h2,13,17-20,24-25H,3,5,7-12,14H2,1,4H3/t17-,18-,19-,20?,21-,22-,23-/m0/s1
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n/an/an/a 13n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
Sex hormone-binding globulin


(Homo sapiens (Human))
BDBM50423514
PNG
(16Alpha-Hydroxy-Testosterone | CHEMBL411316)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H](O)[C@@H]2O |t:8|
Show InChI InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14+,15+,16-,17+,18+,19+/m1/s1
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n/an/an/a 12n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair
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