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Compile Data Set for Download or QSAR

Found 2512 hits with Last Name = 'hoffman' and Initial = 'd'   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50170654
PNG
((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...)
Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r|
Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
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0.0100n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230127
PNG
(CHEMBL407606)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 |wU:45.57,31.44,63.79,23.28,5.4,88.94,wD:57.63,77.91,12.20,(27.09,-8.95,;27.47,-10.44,;28.96,-10.86,;30.04,-11.96,;31.53,-11.6,;29.61,-13.45,;30.56,-14.67,;29.69,-15.95,;28.21,-15.53,;28.16,-13.97,;26.88,-13.11,;26.98,-11.58,;25.49,-13.78,;25.38,-15.33,;26.66,-16.2,;26.55,-17.73,;27.83,-18.59,;27.72,-20.13,;29,-21,;26.33,-20.8,;24.22,-12.92,;22.82,-13.6,;22.72,-15.13,;21.54,-12.73,;21.65,-11.2,;23.05,-10.52,;24.32,-11.38,;23.15,-8.98,;20.15,-13.41,;18.89,-12.55,;18.99,-11.01,;17.49,-13.23,;17.39,-14.76,;18.14,-16.08,;19.64,-16.43,;19.78,-17.94,;18.38,-18.56,;17.91,-20.01,;16.43,-20.33,;15.39,-19.17,;15.88,-17.73,;17.36,-17.42,;16.22,-12.36,;14.83,-13.03,;14.71,-14.57,;13.55,-12.17,;13.66,-10.62,;15.04,-9.95,;15.16,-8.42,;16.54,-7.74,;17.82,-8.6,;19.2,-7.93,;17.71,-10.14,;16.32,-10.81,;12.16,-12.85,;10.88,-11.97,;10.99,-10.44,;9.49,-12.65,;9.39,-14.19,;10.67,-15.06,;8.21,-11.79,;6.83,-12.46,;6.71,-14.01,;5.54,-11.6,;5.65,-10.07,;7.05,-9.39,;8.58,-9.18,;8.85,-7.67,;7.49,-6.93,;7.12,-5.44,;5.63,-5,;4.53,-6.07,;4.89,-7.56,;6.37,-8,;4.17,-12.27,;2.88,-11.41,;3,-9.87,;1.49,-12.09,;1.38,-13.62,;2.15,-14.95,;3.66,-14.95,;4.41,-16.27,;3.65,-17.59,;2.12,-17.59,;1.37,-16.26,;.22,-11.23,;-1.18,-11.9,;-1.28,-13.44,;-2.34,-11.11,;-2.34,-9.69,;-3.87,-9.46,;-4.55,-10.83,;-6.06,-11.09,;-3.45,-11.92,)|
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0.0245n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 35: 3890-4 (1992)


BindingDB Entry DOI: 10.7270/Q24Q7X6M
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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0.0400n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230129
PNG
(CHEMBL407123)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)NCC(O)=O |wU:42.57,23.34,8.21,4.4,89.97,66.71,wD:56.68,75.81,35.38,(22.87,-8.85,;21.6,-7.99,;21.71,-6.46,;20.2,-8.67,;20.11,-10.2,;18.72,-10.89,;17.44,-10.03,;17.55,-8.48,;16.05,-10.7,;15.95,-12.23,;16.7,-13.56,;18.23,-13.58,;19,-14.91,;18.21,-16.25,;18.95,-17.58,;18.18,-18.9,;16.64,-18.88,;15.89,-17.55,;16.68,-16.23,;15.91,-14.89,;14.77,-9.83,;13.39,-10.5,;13.28,-12.05,;12.12,-9.64,;12.22,-8.11,;13.61,-7.44,;14.89,-8.3,;16.27,-7.62,;16.37,-6.08,;17.77,-5.41,;15.1,-5.21,;13.72,-5.9,;10.73,-10.31,;9.45,-9.46,;9.55,-7.9,;8.06,-10.13,;7.95,-11.66,;9.24,-12.54,;6.79,-9.27,;6.88,-7.74,;5.39,-9.94,;5.28,-11.48,;4.12,-9.08,;4.23,-7.54,;5.62,-6.87,;7.15,-6.65,;7.41,-5.14,;6.06,-4.41,;5.7,-2.91,;4.21,-2.48,;3.1,-3.55,;3.47,-5.05,;4.94,-5.48,;2.74,-9.75,;1.45,-8.89,;1.56,-7.34,;.08,-9.56,;-.04,-11.1,;1.24,-11.96,;1.28,-13.51,;2.77,-13.94,;3.63,-12.66,;2.68,-11.43,;-1.21,-8.71,;-2.59,-9.38,;-2.71,-10.92,;-3.76,-8.59,;-3.76,-7.16,;-5.29,-6.93,;-5.97,-8.31,;-7.49,-8.57,;-4.87,-9.39,;21.39,-11.07,;21.27,-12.61,;22.77,-10.4,;24.05,-11.27,;23.94,-12.8,;25.22,-13.67,;25.1,-15.21,;26.38,-16.06,;26.26,-17.6,;27.56,-18.46,;24.89,-18.28,;25.43,-10.59,;25.54,-9.05,;26.7,-11.45,;26.77,-13,;28.24,-13.43,;29.11,-12.14,;28.17,-10.92,;28.58,-9.43,;30.09,-9.08,;27.52,-8.34,;26.03,-7.92,;25.64,-6.44,;24.17,-6.02,;26.73,-5.36,)|
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0.0427n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 35: 3890-4 (1992)


BindingDB Entry DOI: 10.7270/Q24Q7X6M
More data for this
Ligand-Target Pair
C-8 sterol isomerase


(Saccharomyces cerevisiae)
BDBM50170654
PNG
((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...)
Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r|
Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
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0.0500n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for ERG2 of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230120
PNG
(CHEMBL405737)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |wU:64.80,45.57,31.44,23.28,5.4,88.94,wD:78.91,12.20,57.61,(25.64,-6.44,;26.03,-7.92,;27.52,-8.34,;28.58,-9.43,;30.09,-9.08,;28.17,-10.92,;29.11,-12.14,;28.24,-13.43,;26.77,-13,;26.7,-11.45,;25.43,-10.59,;25.54,-9.05,;24.05,-11.27,;23.94,-12.8,;25.22,-13.67,;25.1,-15.21,;26.38,-16.06,;26.26,-17.6,;27.56,-18.46,;24.89,-18.28,;22.77,-10.4,;21.39,-11.07,;21.27,-12.61,;20.11,-10.2,;20.2,-8.67,;21.6,-7.99,;22.87,-8.85,;21.71,-6.46,;18.72,-10.89,;17.44,-10.03,;17.55,-8.48,;16.05,-10.7,;15.95,-12.23,;16.7,-13.56,;18.2,-13.91,;18.35,-15.42,;16.95,-16.04,;16.47,-17.49,;14.98,-17.81,;13.96,-16.65,;14.44,-15.21,;15.93,-14.9,;14.77,-9.83,;13.39,-10.5,;13.28,-12.05,;12.12,-9.64,;12.22,-8.11,;13.61,-7.44,;13.72,-5.9,;15.1,-5.21,;16.37,-6.08,;17.77,-5.41,;16.27,-7.62,;14.89,-8.3,;10.73,-10.31,;9.45,-9.46,;9.55,-7.9,;8.06,-10.13,;7.95,-11.66,;9.24,-12.54,;6.79,-9.27,;6.88,-7.74,;5.39,-9.94,;5.28,-11.48,;4.12,-9.08,;4.23,-7.54,;5.62,-6.87,;7.15,-6.65,;7.41,-5.14,;6.06,-4.41,;5.7,-2.91,;4.21,-2.48,;3.1,-3.55,;3.47,-5.05,;4.94,-5.48,;2.74,-9.75,;1.45,-8.89,;1.56,-7.34,;.08,-9.56,;-.04,-11.1,;1.24,-11.96,;1.28,-13.51,;2.77,-13.94,;3.63,-12.66,;2.68,-11.43,;-1.21,-8.71,;-2.59,-9.38,;-2.71,-10.92,;-3.76,-8.59,;-3.76,-7.16,;-5.29,-6.93,;-5.97,-8.31,;-7.49,-8.57,;-4.87,-9.39,)|
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0.0776n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 35: 3890-4 (1992)


BindingDB Entry DOI: 10.7270/Q24Q7X6M
More data for this
Ligand-Target Pair
C-8 sterol isomerase


(Saccharomyces cerevisiae)
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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0.0900n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for ERG2 of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230123
PNG
(CHEMBL385042)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |wU:39.49,57.72,31.36,23.28,5.4,82.86,wD:51.55,72.83,12.20,(29.65,-8.55,;30.04,-10.04,;31.53,-10.45,;32.6,-11.55,;34.09,-11.18,;32.18,-13.04,;33.11,-14.25,;32.25,-15.54,;30.77,-15.11,;30.72,-13.57,;29.44,-12.71,;29.55,-11.16,;28.05,-13.38,;27.95,-14.92,;29.23,-15.78,;29.12,-17.32,;30.4,-18.18,;30.28,-19.72,;31.56,-20.59,;28.9,-20.4,;26.77,-12.51,;25.39,-13.18,;25.28,-14.73,;24.12,-12.32,;24.22,-10.79,;25.61,-10.11,;26.89,-10.97,;25.72,-8.57,;22.72,-12.99,;21.45,-12.14,;21.54,-10.6,;20.06,-12.81,;19.94,-14.34,;20.71,-15.68,;22.24,-15.69,;19.93,-17.01,;18.78,-11.95,;17.39,-12.62,;17.27,-14.16,;16.11,-11.76,;16.22,-10.22,;17.61,-9.55,;17.71,-8,;19.1,-7.33,;20.38,-8.19,;21.77,-7.51,;20.27,-9.73,;18.89,-10.41,;14.73,-12.44,;13.44,-11.57,;13.55,-10.02,;12.06,-12.24,;11.95,-13.78,;13.23,-14.64,;10.78,-11.38,;9.39,-12.06,;9.28,-13.6,;8.11,-11.18,;8.22,-9.65,;9.3,-8.56,;10.79,-8.95,;11.87,-7.86,;11.46,-6.37,;9.97,-5.99,;9.56,-4.51,;8.07,-4.14,;7,-5.24,;7.42,-6.71,;8.9,-7.09,;6.72,-11.86,;5.44,-11,;5.56,-9.46,;4.07,-11.67,;3.95,-13.22,;5.23,-14.08,;5.28,-15.62,;6.76,-16.05,;7.63,-14.78,;6.68,-13.55,;2.77,-10.81,;1.39,-11.48,;1.29,-13.03,;.22,-10.69,;.22,-9.28,;-1.3,-9.05,;-1.99,-10.42,;-3.5,-10.67,;-.9,-11.51,)|
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0.0933n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 35: 3890-4 (1992)


BindingDB Entry DOI: 10.7270/Q24Q7X6M
More data for this
Ligand-Target Pair
C-8 sterol isomerase


(Saccharomyces cerevisiae)
BDBM50047016
PNG
(1-(4-Fluoro-phenyl)-4-[4-hydroxy-4-(3-trifluoromet...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2
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0.150n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for ERG2 of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230122
PNG
(CHEMBL415571)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |wU:39.49,57.69,23.28,31.36,5.4,80.83,wD:51.55,70.80,12.20,(24.19,-10.58,;24.58,-12.06,;26.07,-12.48,;27.14,-13.57,;28.64,-13.22,;26.72,-15.06,;27.66,-16.28,;26.79,-17.57,;25.32,-17.14,;25.25,-15.59,;23.98,-14.73,;24.09,-13.19,;22.6,-15.41,;22.49,-16.94,;23.77,-17.81,;23.65,-19.35,;24.93,-20.21,;24.81,-21.75,;26.11,-22.61,;23.44,-22.42,;21.32,-14.54,;19.94,-15.21,;19.82,-16.75,;18.66,-14.34,;18.75,-12.81,;20.14,-12.13,;21.42,-12.99,;20.26,-10.6,;17.26,-15.03,;15.99,-14.17,;16.1,-12.62,;14.59,-14.84,;14.49,-16.37,;15.26,-17.71,;16.79,-17.72,;14.48,-19.03,;13.32,-13.97,;11.94,-14.64,;11.82,-16.19,;10.66,-13.78,;10.76,-12.25,;12.15,-11.57,;13.43,-12.43,;14.82,-11.76,;14.92,-10.22,;16.31,-9.55,;13.64,-9.34,;12.26,-10.03,;9.27,-14.45,;7.99,-13.59,;8.09,-12.05,;6.6,-14.27,;6.49,-15.8,;7.78,-16.68,;5.33,-13.41,;3.93,-14.08,;3.82,-15.62,;2.66,-13.22,;2.77,-11.68,;3.84,-10.59,;5.34,-10.97,;6.42,-9.88,;6.02,-8.39,;7.08,-7.32,;6.67,-5.84,;4.51,-8.01,;3.45,-9.11,;1.28,-13.89,;-.02,-13.03,;.1,-11.48,;-1.39,-13.7,;-1.5,-15.24,;-.22,-16.1,;-.18,-17.65,;1.31,-18.08,;2.17,-16.8,;1.22,-15.57,;-2.67,-12.84,;-4.06,-13.52,;-4.17,-15.06,;-5.23,-12.73,;-5.23,-11.3,;-6.75,-11.06,;-7.43,-12.45,;-8.96,-12.7,;-6.34,-13.53,)|
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0.155n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 35: 3890-4 (1992)


BindingDB Entry DOI: 10.7270/Q24Q7X6M
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230126
PNG
(CHEMBL385468)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |wU:39.49,57.71,31.36,23.28,5.4,81.85,wD:51.55,71.82,12.20,(25.64,-6.44,;26.03,-7.92,;27.52,-8.34,;28.58,-9.43,;30.09,-9.08,;28.17,-10.92,;29.11,-12.14,;28.24,-13.43,;26.77,-13,;26.7,-11.45,;25.43,-10.59,;25.54,-9.05,;24.05,-11.27,;23.94,-12.8,;25.22,-13.67,;25.1,-15.21,;26.38,-16.06,;26.26,-17.6,;27.56,-18.46,;24.89,-18.28,;22.77,-10.4,;21.39,-11.07,;21.27,-12.61,;20.11,-10.2,;20.2,-8.67,;21.6,-7.99,;22.87,-8.85,;21.71,-6.46,;18.72,-10.89,;17.44,-10.03,;17.55,-8.48,;16.05,-10.7,;15.95,-12.23,;16.71,-13.56,;18.25,-13.58,;15.93,-14.89,;14.77,-9.83,;13.39,-10.5,;13.28,-12.05,;12.12,-9.64,;12.22,-8.11,;13.61,-7.44,;14.89,-8.3,;16.27,-7.62,;16.37,-6.08,;17.77,-5.41,;15.1,-5.21,;13.72,-5.9,;10.73,-10.31,;9.45,-9.46,;9.55,-7.9,;8.06,-10.13,;7.95,-11.66,;9.24,-12.54,;6.79,-9.27,;5.39,-9.94,;5.28,-11.48,;4.12,-9.08,;4.23,-7.54,;5.62,-6.87,;7.15,-6.65,;7.41,-5.14,;6.06,-4.41,;5.7,-2.91,;4.21,-2.48,;3.1,-3.55,;3.47,-5.05,;4.94,-5.48,;2.74,-9.75,;1.45,-8.89,;1.56,-7.34,;.08,-9.56,;-.04,-11.1,;1.24,-11.96,;1.28,-13.51,;2.77,-13.94,;3.63,-12.66,;2.68,-11.43,;-1.21,-8.71,;-2.59,-9.38,;-2.71,-10.92,;-3.76,-8.59,;-3.76,-7.16,;-5.29,-6.93,;-5.97,-8.31,;-7.49,-8.57,;-4.87,-9.39,)|
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0.186n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 35: 3890-4 (1992)


BindingDB Entry DOI: 10.7270/Q24Q7X6M
More data for this
Ligand-Target Pair
C-8 sterol isomerase


(Saccharomyces cerevisiae)
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 |c:27|
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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0.200n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for ERG2 of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50272695
PNG
(3-(4-chloro-2-morpholinothiazol-5-yl)-2,6-dimethyl...)
Show SMILES CCC(CC)c1cc(C)nn2c(c(C)nc12)-c1sc(nc1Cl)N1CCOCC1 |(8.98,-11.26,;8.98,-12.8,;7.65,-13.58,;6.32,-12.81,;4.99,-13.59,;7.66,-15.12,;6.34,-15.89,;6.33,-17.43,;5,-18.2,;7.67,-18.2,;9.01,-17.43,;10.49,-17.9,;11.4,-16.64,;12.94,-16.63,;10.48,-15.39,;9,-15.88,;10.98,-19.36,;12.45,-19.83,;12.46,-21.37,;11,-21.85,;10.09,-20.61,;8.55,-20.62,;13.71,-22.26,;13.55,-23.79,;14.79,-24.69,;16.2,-24.06,;16.36,-22.53,;15.11,-21.62,)|
Show InChI InChI=1S/C20H26ClN5OS/c1-5-14(6-2)15-11-12(3)24-26-16(13(4)22-19(15)26)17-18(21)23-20(28-17)25-7-9-27-10-8-25/h11,14H,5-10H2,1-4H3
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0.200n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells


Bioorg Med Chem Lett 18: 4486-90 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.063
BindingDB Entry DOI: 10.7270/Q2NG4RJ4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50170636
PNG
(2-[4-(3-Dibenzo[b,f]azepin-5-yl-propyl)-piperazin-...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc23)CC1 |c:18|
Show InChI InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2
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0.200n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50272695
PNG
(3-(4-chloro-2-morpholinothiazol-5-yl)-2,6-dimethyl...)
Show SMILES CCC(CC)c1cc(C)nn2c(c(C)nc12)-c1sc(nc1Cl)N1CCOCC1 |(8.98,-11.26,;8.98,-12.8,;7.65,-13.58,;6.32,-12.81,;4.99,-13.59,;7.66,-15.12,;6.34,-15.89,;6.33,-17.43,;5,-18.2,;7.67,-18.2,;9.01,-17.43,;10.49,-17.9,;11.4,-16.64,;12.94,-16.63,;10.48,-15.39,;9,-15.88,;10.98,-19.36,;12.45,-19.83,;12.46,-21.37,;11,-21.85,;10.09,-20.61,;8.55,-20.62,;13.71,-22.26,;13.55,-23.79,;14.79,-24.69,;16.2,-24.06,;16.36,-22.53,;15.11,-21.62,)|
Show InChI InChI=1S/C20H26ClN5OS/c1-5-14(6-2)15-11-12(3)24-26-16(13(4)22-19(15)26)17-18(21)23-20(28-17)25-7-9-27-10-8-25/h11,14H,5-10H2,1-4H3
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0.200n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF-1 receptor


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.200n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230124
PNG
(CHEMBL429240)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCC(=O)N1 |wU:89.95,63.79,45.57,31.44,23.28,5.4,wD:57.63,12.20,77.83,(27.09,-8.95,;27.47,-10.44,;28.96,-10.86,;30.04,-11.96,;31.53,-11.6,;29.61,-13.45,;30.56,-14.67,;29.69,-15.95,;28.21,-15.53,;28.16,-13.97,;26.88,-13.11,;26.98,-11.58,;25.49,-13.78,;25.38,-15.33,;26.66,-16.2,;26.55,-17.73,;27.83,-18.59,;27.72,-20.13,;29,-21,;26.33,-20.8,;24.22,-12.92,;22.82,-13.6,;22.72,-15.13,;21.54,-12.73,;21.65,-11.2,;23.05,-10.52,;23.15,-8.98,;24.32,-11.38,;20.15,-13.41,;18.89,-12.55,;18.99,-11.01,;17.49,-13.23,;17.39,-14.76,;18.14,-16.08,;19.64,-16.43,;19.78,-17.94,;18.38,-18.56,;17.91,-20.01,;16.43,-20.33,;15.39,-19.17,;15.88,-17.73,;17.36,-17.42,;16.22,-12.36,;14.83,-13.03,;14.71,-14.57,;13.55,-12.17,;13.66,-10.62,;15.04,-9.95,;16.32,-10.81,;17.71,-10.14,;17.82,-8.6,;19.2,-7.93,;16.54,-7.74,;15.16,-8.42,;12.16,-12.85,;10.88,-11.97,;10.99,-10.44,;9.49,-12.65,;9.39,-14.19,;10.67,-15.06,;8.21,-11.79,;6.83,-12.46,;6.71,-14.01,;5.54,-11.6,;5.65,-10.07,;7.05,-9.39,;8.58,-9.18,;8.85,-7.67,;7.49,-6.93,;7.12,-5.44,;5.63,-5,;4.53,-6.07,;4.89,-7.56,;6.37,-8,;4.17,-12.27,;2.88,-11.41,;3,-9.87,;1.49,-12.09,;1.38,-13.62,;2.15,-14.95,;1.37,-16.26,;2.12,-17.59,;3.65,-17.59,;4.41,-16.27,;3.66,-14.95,;.22,-11.23,;.31,-9.7,;-1.18,-11.9,;-1.28,-13.44,;-2.34,-11.11,;-2.34,-9.69,;-3.87,-9.46,;-4.55,-10.83,;-6.06,-11.09,;-3.45,-11.92,)|
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0.209n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 35: 3890-4 (1992)


BindingDB Entry DOI: 10.7270/Q24Q7X6M
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50082040
PNG
((S)-1-((R)-3-Phenyl-2-phenylmethanesulfonylamino-p...)
Show SMILES NC(=N)C[C@H]1CC[C@H](CC1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1 |wU:13.13,4.3,7.10,wD:20.30,(20.28,-11.51,;18.93,-10.74,;18.93,-9.2,;17.6,-11.51,;16.27,-10.74,;14.94,-11.51,;13.61,-10.74,;13.61,-9.2,;14.94,-8.43,;16.27,-9.2,;12.28,-8.45,;10.95,-9.22,;10.93,-10.76,;9.62,-8.45,;10.09,-6.98,;8.85,-6.07,;7.59,-6.98,;8.08,-8.45,;6.73,-9.22,;6.73,-10.76,;5.4,-8.45,;5.4,-6.91,;5.79,-5.42,;7.29,-5,;7.68,-3.51,;6.59,-2.41,;5.07,-2.83,;4.7,-4.32,;4.07,-9.22,;2.74,-8.45,;3.51,-7.12,;1.97,-9.78,;1.38,-7.68,;1.38,-6.14,;2.71,-5.37,;2.71,-3.83,;1.38,-3.06,;.05,-3.86,;.05,-5.37,)|
Show InChI InChI=1S/C29H39N5O4S/c30-27(31)19-22-13-15-24(16-14-22)32-28(35)26-12-7-17-34(26)29(36)25(18-21-8-3-1-4-9-21)33-39(37,38)20-23-10-5-2-6-11-23/h1-6,8-11,22,24-26,33H,7,12-20H2,(H3,30,31)(H,32,35)/t22-,24+,25-,26+/m1/s1
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0.270n/an/an/an/an/an/an/an/a



German National Research Center for Information Technology

Curated by ChEMBL


Assay Description
Binding affinity of the compound against thrombin


J Med Chem 42: 4422-33 (1999)


BindingDB Entry DOI: 10.7270/Q2D21WVC
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230128
PNG
(CHEMBL437798)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(C)C(C)=O |wU:64.80,45.57,31.44,23.28,5.4,wD:12.20,78.91,57.61,(25.45,-7.16,;25.84,-8.64,;27.33,-9.06,;28.4,-10.16,;29.9,-9.79,;27.98,-11.65,;28.92,-12.86,;28.05,-14.15,;26.58,-13.71,;26.52,-12.17,;25.24,-11.31,;25.35,-9.77,;23.86,-11.99,;23.75,-13.53,;25.03,-14.39,;24.91,-15.92,;26.19,-16.78,;26.07,-18.33,;27.37,-19.2,;24.7,-19,;22.58,-11.11,;21.2,-11.79,;21.08,-13.34,;19.92,-10.93,;20.01,-9.39,;21.4,-8.72,;21.52,-7.18,;22.68,-9.58,;18.52,-11.6,;17.25,-10.74,;17.35,-9.21,;15.85,-11.41,;15.75,-12.95,;16.5,-14.29,;18,-14.62,;18.15,-16.15,;16.76,-16.76,;16.27,-18.2,;14.78,-18.52,;13.76,-17.38,;14.24,-15.92,;15.74,-15.62,;14.57,-10.56,;13.2,-11.23,;13.08,-12.76,;11.92,-10.37,;12.02,-8.83,;13.41,-8.14,;13.52,-6.61,;14.9,-5.93,;16.18,-6.79,;17.57,-6.12,;16.08,-8.34,;14.69,-9.01,;10.53,-11.04,;9.25,-10.18,;9.35,-8.63,;7.86,-10.85,;7.74,-12.39,;9.04,-13.25,;6.58,-9.99,;6.68,-8.46,;5.19,-10.66,;5.07,-12.2,;3.91,-9.79,;4.03,-8.26,;5.41,-7.58,;6.95,-7.37,;7.21,-5.85,;5.85,-5.12,;5.49,-3.63,;4,-3.19,;2.89,-4.26,;3.26,-5.76,;4.74,-6.19,;2.53,-10.46,;1.24,-9.6,;1.36,-8.07,;-.13,-10.28,;-.25,-11.83,;1.03,-12.68,;1.08,-14.23,;2.56,-14.66,;3.42,-13.38,;2.47,-12.16,;-1.42,-9.42,;-2.8,-10.09,;-2.92,-11.64,;-3.97,-9.3,;-5.09,-10.11,;-5.2,-11.65,;-6.18,-9.02,;-5.5,-7.65,;-7.71,-9.28,)|
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0.380n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 35: 3890-4 (1992)


BindingDB Entry DOI: 10.7270/Q24Q7X6M
More data for this
Ligand-Target Pair
C-8 sterol isomerase


(Saccharomyces cerevisiae)
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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0.400n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for ERG2 of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
C-8 sterol isomerase


(Saccharomyces cerevisiae)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.5n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for ERG2 of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50170650
PNG
((2-{4-[(2-Chloro-benzylamino)-methyl]-cyclohexyl}-...)
Show SMILES Clc1ccccc1CNC[C@H]1CC[C@H](CCNc2ccccc2Cl)CC1 |wU:10.10,wD:13.14,(3.57,-2.64,;3.57,-1.1,;2.24,-.33,;2.24,1.21,;3.57,2,;4.91,1.23,;4.91,-.33,;6.24,-1.1,;7.57,-.31,;8.91,-1.08,;10.24,-.31,;10.24,1.21,;11.58,1.98,;12.91,1.21,;14.24,1.98,;15.59,1.21,;16.92,1.98,;18.25,1.21,;18.23,-.33,;19.56,-1.1,;20.91,-.33,;20.91,1.21,;19.58,1.98,;19.58,3.52,;12.91,-.33,;11.58,-1.1,)|
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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0.5n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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0.5n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
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)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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0.600n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
C-8 sterol isomerase


(Saccharomyces cerevisiae)
BDBM50170656
PNG
(CHEMBL190631 | [2-(4-{(E)-2-[4-(2-Diethylamino-eth...)
Show SMILES CCN(CC)CCOc1ccc(cc1)C(\CC)=C(/CC)c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C30H46N2O2/c1-7-29(25-13-17-27(18-14-25)33-23-21-31(9-3)10-4)30(8-2)26-15-19-28(20-16-26)34-24-22-32(11-5)12-6/h13-20H,7-12,21-24H2,1-6H3/b30-29+
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0.700n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for ERG2 of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50047016
PNG
(1-(4-Fluoro-phenyl)-4-[4-hydroxy-4-(3-trifluoromet...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2
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0.830n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
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 |c:6|
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)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132951
PNG
(8-(2,4-dichlorophenyl)-2-methyl-N,N-dipropylquinol...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H24Cl2N2/c1-4-11-26(12-5-2)21-13-15(3)25-22-18(7-6-8-19(21)22)17-10-9-16(23)14-20(17)24/h6-10,13-14H,4-5,11-12H2,1-3H3
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0.900n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF-1 receptor


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50132951
PNG
(8-(2,4-dichlorophenyl)-2-methyl-N,N-dipropylquinol...)
Show SMILES CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H24Cl2N2/c1-4-11-26(12-5-2)21-13-15(3)25-22-18(7-6-8-19(21)22)17-10-9-16(23)14-20(17)24/h6-10,13-14H,4-5,11-12H2,1-3H3
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0.900n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells


Bioorg Med Chem Lett 18: 891-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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1n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50170660
PNG
(CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...)
Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1
Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3
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1n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348782
PNG
(CHEMBL1807053)
Show SMILES CCC(CC)Nc1nc(C)c(nc1OC)-c1ccc(OC(F)(F)F)cc1OC
Show InChI InChI=1S/C19H24F3N3O3/c1-6-12(7-2)24-17-18(27-5)25-16(11(3)23-17)14-9-8-13(10-15(14)26-4)28-19(20,21)22/h8-10,12H,6-7H2,1-5H3,(H,23,24)
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1n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
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)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
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)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
C-8 sterol isomerase


(Saccharomyces cerevisiae)
BDBM50080017
PNG
((+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-...)
Show SMILES C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|
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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1n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for ERG2 of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
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)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
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)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM18957
PNG
((2-{4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-di...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
Show InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3
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1n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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1n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine type 2 receptor was determined by displacement assays using [3H]-YM 09151 as the competitive ligand


Bioorg Med Chem Lett 12: 3111-5 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07ND
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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1n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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 |c:27|
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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1n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348778
PNG
(CHEMBL1807058)
Show SMILES CCC(CC)Nc1nc(OC)c(nc1CC)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C19H26ClN3O2/c1-6-12(7-2)21-18-16(8-3)22-17(19(23-18)25-5)14-10-9-13(24-4)11-15(14)20/h9-12H,6-8H2,1-5H3,(H,21,23)
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1.10n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348829
PNG
(CHEMBL1807054)
Show SMILES CCC(CC)Nc1nc(C)c(nc1OC)-c1ccc(cc1OC)C(F)(F)F
Show InChI InChI=1S/C19H24F3N3O2/c1-6-13(7-2)24-17-18(27-5)25-16(11(3)23-17)14-9-8-12(19(20,21)22)10-15(14)26-4/h8-10,13H,6-7H2,1-5H3,(H,23,24)
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1.30n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50170639
PNG
(Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrr...)
Show SMILES CN(C1CCN(CCCCOc2ccccc2)C1)c1nc2ccccc2s1
Show InChI InChI=1S/C22H27N3OS/c1-24(22-23-20-11-5-6-12-21(20)27-22)18-13-15-25(17-18)14-7-8-16-26-19-9-3-2-4-10-19/h2-6,9-12,18H,7-8,13-17H2,1H3
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1.30n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230130
PNG
(CHEMBL266205)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |wU:58.72,39.49,31.36,23.28,5.4,82.86,wD:72.83,12.20,51.53,(25.64,-6.44,;26.03,-7.92,;27.52,-8.34,;28.58,-9.43,;30.09,-9.08,;28.17,-10.92,;29.11,-12.14,;28.24,-13.43,;26.77,-13,;26.7,-11.45,;25.43,-10.59,;25.54,-9.05,;24.05,-11.27,;23.94,-12.8,;25.22,-13.67,;25.1,-15.21,;26.38,-16.06,;26.26,-17.6,;27.56,-18.46,;24.89,-18.28,;22.77,-10.4,;21.39,-11.07,;21.27,-12.61,;20.11,-10.2,;20.2,-8.67,;21.6,-7.99,;21.71,-6.46,;22.87,-8.85,;18.72,-10.89,;17.44,-10.03,;17.55,-8.48,;16.05,-10.7,;15.95,-12.23,;16.71,-13.56,;18.25,-13.58,;15.93,-14.89,;14.77,-9.83,;13.39,-10.5,;13.28,-12.05,;12.12,-9.64,;12.22,-8.11,;13.61,-7.44,;13.72,-5.9,;15.1,-5.21,;16.37,-6.08,;17.77,-5.41,;16.27,-7.62,;14.89,-8.3,;10.73,-10.31,;9.45,-9.46,;9.55,-7.9,;8.06,-10.13,;7.95,-11.66,;9.24,-12.54,;6.79,-9.27,;6.88,-7.74,;5.39,-9.94,;5.28,-11.48,;4.12,-9.08,;4.23,-7.54,;5.62,-6.87,;7.15,-6.65,;7.41,-5.14,;6.06,-4.41,;5.7,-2.91,;4.21,-2.48,;3.1,-3.55,;3.47,-5.05,;4.94,-5.48,;2.74,-9.75,;1.45,-8.89,;1.56,-7.34,;.08,-9.56,;-.04,-11.1,;1.24,-11.96,;1.28,-13.51,;2.77,-13.94,;3.63,-12.66,;2.68,-11.43,;-1.21,-8.71,;-2.59,-9.38,;-2.71,-10.92,;-3.76,-8.59,;-3.76,-7.16,;-5.29,-6.93,;-5.97,-8.31,;-7.49,-8.57,;-4.87,-9.39,)|
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1.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 35: 3890-4 (1992)


BindingDB Entry DOI: 10.7270/Q24Q7X6M
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348783
PNG
(CHEMBL1807052)
Show SMILES CCC(CC)Nc1nc(CC)c(nc1OC)-c1ccc(OC(F)F)cc1Cl
Show InChI InChI=1S/C19H24ClF2N3O2/c1-5-11(6-2)23-17-18(26-4)25-16(15(7-3)24-17)13-9-8-12(10-14(13)20)27-19(21)22/h8-11,19H,5-7H2,1-4H3,(H,23,24)
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1.40n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50170663
PNG
((7S,8R)-7,8-Dimethyl-6-(3-methyl-but-2-enylamino)-...)
Show SMILES [H][C@@]1([#6])[#6]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |TLB:2:1:11.5.4:16.14.15,17:16:1:11.5.4,10:11:1:16.14.15|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18?,19-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand


J Med Chem 48: 4754-64 (2005)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50348786
PNG
(CHEMBL1807049)
Show SMILES CCC(CC)Nc1nc(CC)c(nc1OC)-c1ccc(OC)cc1CC
Show InChI InChI=1S/C21H31N3O2/c1-7-14-13-16(25-5)11-12-17(14)19-18(10-4)23-20(21(24-19)26-6)22-15(8-2)9-3/h11-13,15H,7-10H2,1-6H3,(H,22,23)
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1.90n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting


J Med Chem 54: 4187-206 (2011)


Article DOI: 10.1021/jm200365y
BindingDB Entry DOI: 10.7270/Q2XS5VR1
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 |c:27|
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)


Article DOI: 10.1021/jm049073+
BindingDB Entry DOI: 10.7270/Q2639QHB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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