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Compile Data Set for Download or QSAR

Found 162 hits with Last Name = 'tran' and Initial = 'tb'   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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3.5n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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11.5n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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13n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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136n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50361983
PNG
(CHEMBL1939697)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1
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730n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as unbound inhibitor concentration required for half maximal enz...


Drug Metab Dispos 40: 1429-40 (2012)


Article DOI: 10.1124/dmd.112.045708
BindingDB Entry DOI: 10.7270/Q23N254Q
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50361983
PNG
(CHEMBL1939697)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1
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740n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate assessed as unbound inhibitor concentration required for half maximal ...


Drug Metab Dispos 40: 1429-40 (2012)


Article DOI: 10.1124/dmd.112.045708
BindingDB Entry DOI: 10.7270/Q23N254Q
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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1.11E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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1.34E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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1.54E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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1.74E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50361983
PNG
(CHEMBL1939697)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate assessed as residual enzyme activity after 2 to 10 mins by LC-MS/MS analy...


Drug Metab Dispos 40: 1429-40 (2012)


Article DOI: 10.1124/dmd.112.045708
BindingDB Entry DOI: 10.7270/Q23N254Q
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50361983
PNG
(CHEMBL1939697)
Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate assessed as residual enzyme activity after 2 to 10 mins by LC-MS/MS an...


Drug Metab Dispos 40: 1429-40 (2012)


Article DOI: 10.1124/dmd.112.045708
BindingDB Entry DOI: 10.7270/Q23N254Q
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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2.37E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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4.15E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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8.30E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1E


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
AP-2 complex subunit sigma


(RAT)
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Rattus norvegicus (Rat))
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159 | US101672...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Psychopharmacology (Berl) 205: 119-28 (2009)


Article DOI: 10.1007/s00213-009-1521-8
BindingDB Entry DOI: 10.7270/Q2TB15G7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50415020
PNG
(CHEMBL570708)
Show SMILES Cc1c(C#N)c(Cl)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl
Show InChI InChI=1S/C18H11Cl2N3OS/c1-8-11(7-21)17(20)23-15-14-10(9-4-2-3-5-12(9)19)6-13(24)22-18(14)25-16(8)15/h2-5,10H,6H2,1H3,(H,22,24)
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n/an/a 2.51n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at progesterone receptor in human T47D cell after 24 hrs by alkaline phosphatase assay


Bioorg Med Chem Lett 19: 4916-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.100
BindingDB Entry DOI: 10.7270/Q2F76DSM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298210
PNG
((S)-2-chloro-4-((2,5-dichlorobenzyl)(1-ethyl-5-oxo...)
Show SMILES CCN1C[C@H](CC1=O)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H18Cl3N3O/c1-2-25-12-17(9-20(25)27)26(11-14-7-15(21)4-6-18(14)22)16-5-3-13(10-24)19(23)8-16/h3-8,17H,2,9,11-12H2,1H3/t17-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


Bioorg Med Chem Lett 19: 4664-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50298208
PNG
((S)-2-chloro-4-((2-chloro-5-fluorobenzyl)(1-ethyl-...)
Show SMILES CCN1C[C@H](CC1=O)N(Cc1cc(F)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
Show InChI InChI=1S/C20H18Cl2FN3O/c1-2-25-12-17(9-20(25)27)26(11-14-7-15(23)4-6-18(14)21)16-5-3-13(10-24)19(22)8-16/h3-8,17H,2,9,11-12H2,1H3/t17-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to progesterone receptor


Bioorg Med Chem Lett 19: 4664-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.081
BindingDB Entry DOI: 10.7270/Q25H7G9T
More data for this
Ligand-Target Pair
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