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Compile Data Set for Download or QSAR

Found 182 hits Enz. Inhib. hit(s) with Target = '3-beta-hydroxysteroid-delta(8),delta(7)-isomerase'   
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
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50419548
PNG
(CHEMBL1929281)
Show SMILES CC1(C)CCCN(CCCC2CCCCc3ccccc23)C1
Show InChI InChI=1S/C21H33N/c1-21(2)14-8-16-22(17-21)15-7-12-19-10-4-3-9-18-11-5-6-13-20(18)19/h5-6,11,13,19H,3-4,7-10,12,14-17H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes


Bioorg Med Chem 19: 7612-22 (2011)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50003027
PNG
((4aS,5S,6S,8aS)-5,8a-Dimethyl-2-(1,5,9-trimethyl-d...)
Show SMILES CC(C)CCCC(C)CCCC(C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C24H47NO/c1-18(2)9-7-10-19(3)11-8-12-20(4)25-16-14-22-21(5)23(26)13-15-24(22,6)17-25/h18-23,26H,7-17H2,1-6H3/t19?,20?,21-,22-,23-,24+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand


J Med Chem 48: 4754-64 (2005)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50067013
PNG
(1-[4-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCCN3CCCC(C)(C)C3)CCCc12
Show InChI InChI=1S/C22H35NO/c1-22(2)14-8-16-23(17-22)15-5-4-9-18-10-6-12-20-19(18)11-7-13-21(20)24-3/h7,11,13,18H,4-6,8-10,12,14-17H2,1-3H3
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0.670n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes


Bioorg Med Chem 19: 7612-22 (2011)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50419545
PNG
(CHEMBL1929278)
Show SMILES CC1(C)CCCN(CCCc2cccc3sccc23)C1
Show InChI InChI=1S/C18H25NS/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h3,6,8-9,13H,4-5,7,10-12,14H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes


Bioorg Med Chem 19: 7612-22 (2011)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50065941
PNG
(1-{2-[4-(6-Methoxy-2-phenyl-3,4-dihydro-naphthalen...)
Show SMILES COc1ccc2C(=C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3
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0.900n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand


J Med Chem 48: 4754-64 (2005)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50170657
PNG
(1''-butyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-p...)
Show SMILES CCCCN1CCC2(CCCc3ccccc23)CC1
Show InChI InChI=1S/C18H27N/c1-2-3-13-19-14-11-18(12-15-19)10-6-8-16-7-4-5-9-17(16)18/h4-5,7,9H,2-3,6,8,10-15H2,1H3
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1n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand


J Med Chem 48: 4754-64 (2005)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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1n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand


J Med Chem 48: 4754-64 (2005)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM55354
PNG
(CLOMIPHENE | CLOMIPHENE CITRATE | MLS000069760 | S...)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+
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1n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand


J Med Chem 48: 4754-64 (2005)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50170652
PNG
((2R,6S)-2,6-Dimethyl-4-tridecyl-morpholine | CHEMB...)
Show SMILES CCCCCCCCCCCCCN1C[C@H](C)O[C@H](C)C1
Show InChI InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3/t18-,19+
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1n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand


J Med Chem 48: 4754-64 (2005)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50419544
PNG
(CHEMBL1929277)
Show SMILES CC1(C)CCCN(CCCc2cccc3occc23)C1
Show InChI InChI=1S/C18H25NO/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h3,6,8-9,13H,4-5,7,10-12,14H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes


Bioorg Med Chem 19: 7612-22 (2011)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50299708
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronap...)
Show SMILES COc1cccc2C(CCCC3CCN(CC3)C3CCCCC3)CCCc12
Show InChI InChI=1S/C25H39NO/c1-27-25-15-7-13-23-21(10-6-14-24(23)25)9-5-8-20-16-18-26(19-17-20)22-11-3-2-4-12-22/h7,13,15,20-22H,2-6,8-12,14,16-19H2,1H3
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1.46n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay


J Med Chem 52: 7817-28 (2009)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50419543
PNG
(CHEMBL1929275)
Show SMILES CC1(C)CCCN(CCCCC2CCc3ccccc23)C1
Show InChI InChI=1S/C20H31N/c1-20(2)13-7-15-21(16-20)14-6-5-9-18-12-11-17-8-3-4-10-19(17)18/h3-4,8,10,18H,5-7,9,11-16H2,1-2H3
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1.54n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes


Bioorg Med Chem 19: 7612-22 (2011)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50338990
PNG
(1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...)
Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL


Assay Description
Binding affinity to EBP (unknown origin)


J Med Chem 56: 3478-91 (2013)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50338990
PNG
(1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...)
Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Institute of Radiopharmacy

Curated by ChEMBL


Assay Description
Binding affinity to EBP


Bioorg Med Chem 20: 257-69 (2011)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50338990
PNG
(1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...)
Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Binding affinity to emopamil binding protein


Bioorg Med Chem 19: 2911-7 (2011)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50338990
PNG
(1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piper...)
Show SMILES COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Binding affinity to EBP


J Med Chem 55: 8272-82 (2012)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50179265
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-4,4-dimethyl...)
Show SMILES COc1ccc2c(CCCCN3CCC(C)(C)CC3)cccc2c1
Show InChI InChI=1S/C22H31NO/c1-22(2)12-15-23(16-13-22)14-5-4-7-18-8-6-9-19-17-20(24-3)10-11-21(18)19/h6,8-11,17H,4-5,7,12-16H2,1-3H3
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1.82n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes


J Med Chem 48: 8237-44 (2005)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50179277
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-3,3-dimethyl...)
Show SMILES COc1ccc2c(CCCCN3CCCC(C)(C)C3)cccc2c1
Show InChI InChI=1S/C22H31NO/c1-22(2)13-7-15-23(17-22)14-5-4-8-18-9-6-10-19-16-20(24-3)11-12-21(18)19/h6,9-12,16H,4-5,7-8,13-15,17H2,1-3H3
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1.89n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes


J Med Chem 48: 8237-44 (2005)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50170651
PNG
((3S,8R,9S,10R,13S,14S)-3-(2-Diethylamino-ethoxy)-1...)
Show SMILES CCN(CC)CCO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
Show InChI InChI=1S/C25H41NO2/c1-5-26(6-2)15-16-28-19-11-13-24(3)18(17-19)7-8-20-21-9-10-23(27)25(21,4)14-12-22(20)24/h7,19-22H,5-6,8-17H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1
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2n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand


J Med Chem 48: 4754-64 (2005)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM71545
PNG
(2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy...)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25-
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2n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand


J Med Chem 48: 4754-64 (2005)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50170659
PNG
(2-[3-(Methyl-phenethyl-amino)-propyl]-2-phenyl-tet...)
Show SMILES CCCCCCCCCCCCC(CCCN(C)CCc1ccccc1)(C#N)c1ccccc1
Show InChI InChI=1S/C32H48N2/c1-3-4-5-6-7-8-9-10-11-18-25-32(29-33,31-22-16-13-17-23-31)26-19-27-34(2)28-24-30-20-14-12-15-21-30/h12-17,20-23H,3-11,18-19,24-28H2,1-2H3
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2n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand


J Med Chem 48: 4754-64 (2005)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50419547
PNG
(CHEMBL1929280)
Show SMILES CC1(C)CCCN(CCCCCC2CCCc3sccc23)C1
Show InChI InChI=1S/C20H33NS/c1-20(2)12-7-14-21(16-20)13-5-3-4-8-17-9-6-10-19-18(17)11-15-22-19/h11,15,17H,3-10,12-14,16H2,1-2H3
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2.11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes


Bioorg Med Chem 19: 7612-22 (2011)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50007674
PNG
((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...)
Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane


J Med Chem 46: 2117-24 (2003)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50179263
PNG
((+)-(S)-1-(4-(6-methoxynaphthalen-1-yl)butyl)-3-me...)
Show SMILES COc1ccc2c(CCCCN3CCC[C@H](C)C3)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-7-6-14-22(16-17)13-4-3-8-18-9-5-10-19-15-20(23-2)11-12-21(18)19/h5,9-12,15,17H,3-4,6-8,13-14,16H2,1-2H3/t17-/m0/s1
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2.81n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes


J Med Chem 48: 8237-44 (2005)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50170641
PNG
(CHEMBL188476 | [(E)-3-(3-Chloro-4-cyclohexyl-pheny...)
Show SMILES CCN(C\C=C\c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1
Show InChI InChI=1S/C23H34ClN/c1-2-25(21-13-7-4-8-14-21)17-9-10-19-15-16-22(23(24)18-19)20-11-5-3-6-12-20/h9-10,15-16,18,20-21H,2-8,11-14,17H2,1H3/b10-9+
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3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand


J Med Chem 48: 4754-64 (2005)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50359687
PNG
(CHEMBL1929279 | CHEMBL1929431)
Show SMILES CC1(C)CCCN(CCCC2CCCc3sccc23)C1
Show InChI InChI=1S/C18H29NS/c1-18(2)10-5-12-19(14-18)11-4-7-15-6-3-8-17-16(15)9-13-20-17/h9,13,15H,3-8,10-12,14H2,1-2H3
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3.07n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes


Bioorg Med Chem 19: 7612-22 (2011)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50128105
PNG
(1-[2-(4-Chloro-phenoxy)-propyl]-4-methyl-piperidin...)
Show SMILES C[C@H](CN1CCC(C)CC1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)11-13(2)18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m1/s1
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3.38n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane


J Med Chem 46: 2117-24 (2003)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50179270
PNG
((+)-(S)-1-(3-(6-methoxynaphthalen-1-yl)propyl)-3-m...)
Show SMILES COc1ccc2c(CCCN3CCC[C@H](C)C3)cccc2c1
Show InChI InChI=1S/C20H27NO/c1-16-6-4-12-21(15-16)13-5-9-17-7-3-8-18-14-19(22-2)10-11-20(17)18/h3,7-8,10-11,14,16H,4-6,9,12-13,15H2,1-2H3/t16-/m0/s1
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3.41n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes


J Med Chem 48: 8237-44 (2005)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50179259
PNG
(1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCCN3CCCCC3)CCCc2c1
Show InChI InChI=1S/C20H31NO/c1-22-19-11-12-20-17(9-7-10-18(20)16-19)8-3-6-15-21-13-4-2-5-14-21/h11-12,16-17H,2-10,13-15H2,1H3
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3.57n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes


J Med Chem 48: 8237-44 (2005)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50128110
PNG
(1-[2-(4-Chloro-phenoxy)-ethyl]-4-methyl-piperidine...)
Show SMILES CC1CCN(CCOc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C14H20ClNO/c1-12-6-8-16(9-7-12)10-11-17-14-4-2-13(15)3-5-14/h2-5,12H,6-11H2,1H3
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3.70n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane


J Med Chem 46: 2117-24 (2003)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50128107
PNG
(1-[2-(4-Chloro-phenoxy)-1-methyl-ethyl]-4-methyl-p...)
Show SMILES C[C@@H](COc1ccc(Cl)cc1)N1CCC(C)CC1
Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)13(2)11-18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m0/s1
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3.73n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane


J Med Chem 46: 2117-24 (2003)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50419550
PNG
(CHEMBL1929287)
Show SMILES CC1(C)CCCN(CCCCC2CCCCC2)C1
Show InChI InChI=1S/C17H33N/c1-17(2)12-8-14-18(15-17)13-7-6-11-16-9-4-3-5-10-16/h16H,3-15H2,1-2H3
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3.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]-emopamil from delta(8)-delta(7) sterol isomerase in guinea pig liver membranes


Bioorg Med Chem 19: 7612-22 (2011)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50170650
PNG
((2-{4-[(2-Chloro-benzylamino)-methyl]-cyclohexyl}-...)
Show SMILES Clc1ccccc1CNC[C@H]1CC[C@H](CCNc2ccccc2Cl)CC1
Show InChI InChI=1S/C22H28Cl2N2/c23-20-6-2-1-5-19(20)16-25-15-18-11-9-17(10-12-18)13-14-26-22-8-4-3-7-21(22)24/h1-8,17-18,25-26H,9-16H2/t17-,18-
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4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand


J Med Chem 48: 4754-64 (2005)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50179262
PNG
(1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCCN3CCC(C)(C)CC3)CCCc2c1
Show InChI InChI=1S/C22H35NO/c1-22(2)12-15-23(16-13-22)14-5-4-7-18-8-6-9-19-17-20(24-3)10-11-21(18)19/h10-11,17-18H,4-9,12-16H2,1-3H3
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4.11n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes


J Med Chem 48: 8237-44 (2005)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50219749
PNG
(3,3-dimethyl-1-[3-(7-methoxynaphthalen-1-yl)propyl...)
Show SMILES COc1ccc2cccc(CCCN3CCCC(C)(C)C3)c2c1
Show InChI InChI=1S/C21H29NO/c1-21(2)12-6-14-22(16-21)13-5-9-17-7-4-8-18-10-11-19(23-3)15-20(17)18/h4,7-8,10-11,15H,5-6,9,12-14,16H2,1-3H3
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4.12n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]emopamil from Delta-(8)-Delta-(7) sterol isomerase in guinea pig liver membrane


J Med Chem 50: 4648-55 (2007)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50145022
PNG
(1-Cyclohexyl-4-[3-(5-methoxy-naphthalen-1-yl)-prop...)
Show SMILES COc1cccc2c(CCCN3CCN(CC3)C3CCCCC3)cccc12
Show InChI InChI=1S/C24H34N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h5-6,8,12-14,21H,2-4,7,9-11,15-19H2,1H3
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4.51n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]emopamil from Delta-(8)-Delta-(7) sterol isomerase in guinea pig liver membrane


J Med Chem 50: 4648-55 (2007)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50007674
PNG
((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...)
Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes


J Med Chem 48: 8237-44 (2005)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50299726
PNG
(1-cyclohexyl-4-(3-cyclohexylpropyl)piperazine | CH...)
Show SMILES C(CC1CCCCC1)CN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H36N2/c1-3-8-18(9-4-1)10-7-13-20-14-16-21(17-15-20)19-11-5-2-6-12-19/h18-19H,1-17H2
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4.70n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay


J Med Chem 52: 7817-28 (2009)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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5n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand


J Med Chem 48: 4754-64 (2005)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50274839
PNG
(CHEMBL456435 | cis-4-[4-(2-Methylphenyl)cyclohexyl...)
Show SMILES Cc1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C22H29N3/c1-18-6-2-3-7-21(18)19-9-11-20(12-10-19)24-14-16-25(17-15-24)22-8-4-5-13-23-22/h2-8,13,19-20H,9-12,14-17H2,1H3/t19-,20+
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5n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane


J Med Chem 51: 7523-31 (2009)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50274948
PNG
(CHEMBL457722 | cis-4-[4-(2,6-Dimethoxyphenyl)cyclo...)
Show SMILES COc1cccc(OC)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H31N3O2/c1-27-20-6-5-7-21(28-2)23(20)18-9-11-19(12-10-18)25-14-16-26(17-15-25)22-8-3-4-13-24-22/h3-8,13,18-19H,9-12,14-17H2,1-2H3/t18-,19+
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5n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane


J Med Chem 51: 7523-31 (2009)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50080017
PNG
((+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-...)
Show SMILES C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m1/s1
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5n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand


J Med Chem 48: 4754-64 (2005)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50179285
PNG
(1-(3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCN3CCC(C)CC3)CCCc2c1
Show InChI InChI=1S/C20H31NO/c1-16-10-13-21(14-11-16)12-4-7-17-5-3-6-18-15-19(22-2)8-9-20(17)18/h8-9,15-17H,3-7,10-14H2,1-2H3
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5.34n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes


J Med Chem 48: 8237-44 (2005)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50179281
PNG
(1-(3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCN3CCC(C)(C)CC3)CCCc2c1
Show InChI InChI=1S/C21H33NO/c1-21(2)11-14-22(15-12-21)13-5-8-17-6-4-7-18-16-19(23-3)9-10-20(17)18/h9-10,16-17H,4-8,11-15H2,1-3H3
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5.39n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes


J Med Chem 48: 8237-44 (2005)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50179269
PNG
(1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES COc1ccc2C(CCCCN3CCC(C)CC3)CCCc2c1
Show InChI InChI=1S/C21H33NO/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19/h9-10,16-18H,3-8,11-15H2,1-2H3
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5.55n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes


J Med Chem 48: 8237-44 (2005)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens (Human))
BDBM50170648
PNG
((R)-2-Isopropyl-5-(methyl-phenethyl-amino)-2-pheny...)
Show SMILES CC(C)[C@@](CCCN(C)CCc1ccccc1)(C#N)c1ccccc1
Show InChI InChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3/t23-/m1/s1
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6n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand


J Med Chem 48: 4754-64 (2005)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50179275
PNG
((-)-(R)-1-(4-(6-methoxynaphthalen-1-yl)butyl)-2-me...)
Show SMILES COc1ccc2c(CCCCN3CCCC[C@H]3C)cccc2c1
Show InChI InChI=1S/C21H29NO/c1-17-8-3-5-14-22(17)15-6-4-9-18-10-7-11-19-16-20(23-2)12-13-21(18)19/h7,10-13,16-17H,3-6,8-9,14-15H2,1-2H3/t17-/m1/s1
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6.44n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes


J Med Chem 48: 8237-44 (2005)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50274970
PNG
(CHEMBL513936 | trans-4-[4-(2,6-Dimethoxyphenyl)cyc...)
Show SMILES COc1cccc(OC)c1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H31N3O2/c1-27-20-6-5-7-21(28-2)23(20)18-9-11-19(12-10-18)25-14-16-26(17-15-25)22-8-3-4-13-24-22/h3-8,13,18-19H,9-12,14-17H2,1-2H3/t18-,19-
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7n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane


J Med Chem 51: 7523-31 (2009)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50219751
PNG
(1-cyclohexyl-4-[3-(6-methoxynaphthalen-1-yl)propyl...)
Show SMILES COc1ccc2c(CCCN3CCN(CC3)C3CCCCC3)cccc2c1
Show InChI InChI=1S/C24H34N2O/c1-27-23-12-13-24-20(7-5-8-21(24)19-23)9-6-14-25-15-17-26(18-16-25)22-10-3-2-4-11-22/h5,7-8,12-13,19,22H,2-4,6,9-11,14-18H2,1H3
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7.06n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]emopamil from Delta-(8)-Delta-(7) sterol isomerase in guinea pig liver membrane


J Med Chem 50: 4648-55 (2007)

More data for this
Ligand-Target Pair
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50274945
PNG
(CHEMBL457720 | trans-4-[4-(2-Chlorophenyl)cyclohex...)
Show SMILES Clc1ccccc1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C21H26ClN3/c22-20-6-2-1-5-19(20)17-8-10-18(11-9-17)24-13-15-25(16-14-24)21-7-3-4-12-23-21/h1-7,12,17-18H,8-11,13-16H2/t17-,18-
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7.20n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane


J Med Chem 51: 7523-31 (2009)

More data for this
Ligand-Target Pair
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