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4 similar compounds to monomer 50436542

Compile data set for download or QSAR
Wt: 490.6
BDBM50274354
Wt: 414.5
BDBM50274355
Wt: 486.7
BDBM50274262
Wt: 414.5
BDBM50436541

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50274354,50274355,50274262,50436541   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells


J Med Chem 56: 5130-41 (2013)


Article DOI: 10.1021/jm400520c
BindingDB Entry DOI: 10.7270/Q2PR7XDM
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50274355
PNG
(CHEMBL484358 | N-[N'-(4-Ethynylcyclohex-3-en-1-yl)...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)
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0.210n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50274355
PNG
(CHEMBL484358 | N-[N'-(4-Ethynylcyclohex-3-en-1-yl)...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)
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0.780n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human wild type D3 receptor expressed in human HEK293 cells


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
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1n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human dopamine D2L receptor expressed in CHO cells


J Med Chem 56: 5130-41 (2013)


Article DOI: 10.1021/jm400520c
BindingDB Entry DOI: 10.7270/Q2PR7XDM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50274355
PNG
(CHEMBL484358 | N-[N'-(4-Ethynylcyclohex-3-en-1-yl)...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)
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4.30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4 receptor expressed in CHO cells


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50274262
PNG
(CHEMBL483593 | N-[N'-Propyl-N'-[4-(2-trimethylsily...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C[Si](C)(C)C
Show InChI InChI=1S/C31H42N2OSi/c1-5-23-33(30-19-13-26(14-20-30)21-25-35(2,3)4)24-10-9-22-32-31(34)29-17-15-28(16-18-29)27-11-7-6-8-12-27/h6-8,11-13,15-18,30H,5,9-10,14,19-20,22-24H2,1-4H3,(H,32,34)
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4.40n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
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9.40n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
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14n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor expressed in CHO cells


J Med Chem 56: 5130-41 (2013)


Article DOI: 10.1021/jm400520c
BindingDB Entry DOI: 10.7270/Q2PR7XDM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
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21n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in CHO cells


J Med Chem 56: 5130-41 (2013)


Article DOI: 10.1021/jm400520c
BindingDB Entry DOI: 10.7270/Q2PR7XDM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50274355
PNG
(CHEMBL484358 | N-[N'-(4-Ethynylcyclohex-3-en-1-yl)...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)
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40n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2long receptor expressed in CHO cells


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50274355
PNG
(CHEMBL484358 | N-[N'-(4-Ethynylcyclohex-3-en-1-yl)...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)
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43n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2short receptor expressed in CHO cells


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50274262
PNG
(CHEMBL483593 | N-[N'-Propyl-N'-[4-(2-trimethylsily...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C[Si](C)(C)C
Show InChI InChI=1S/C31H42N2OSi/c1-5-23-33(30-19-13-26(14-20-30)21-25-35(2,3)4)24-10-9-22-32-31(34)29-17-15-28(16-18-29)27-11-7-6-8-12-27/h6-8,11-13,15-18,30H,5,9-10,14,19-20,22-24H2,1-4H3,(H,32,34)
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69n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4 receptor expressed in CHO cells


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Sus scrofa)
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
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190n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in porcine striatal membranes


J Med Chem 56: 5130-41 (2013)


Article DOI: 10.1021/jm400520c
BindingDB Entry DOI: 10.7270/Q2PR7XDM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50274262
PNG
(CHEMBL483593 | N-[N'-Propyl-N'-[4-(2-trimethylsily...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C[Si](C)(C)C
Show InChI InChI=1S/C31H42N2OSi/c1-5-23-33(30-19-13-26(14-20-30)21-25-35(2,3)4)24-10-9-22-32-31(34)29-17-15-28(16-18-29)27-11-7-6-8-12-27/h6-8,11-13,15-18,30H,5,9-10,14,19-20,22-24H2,1-4H3,(H,32,34)
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220n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2long receptor expressed in CHO cells


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50274354
PNG
(CHEMBL484357 | N-[N'-Propyl-N'-[4-(2-phenylethynyl...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#Cc1ccccc1
Show InChI InChI=1S/C34H38N2O/c1-2-26-36(33-23-17-29(18-24-33)16-15-28-11-5-3-6-12-28)27-10-9-25-35-34(37)32-21-19-31(20-22-32)30-13-7-4-8-14-30/h3-8,11-14,17,19-22,33H,2,9-10,18,23-27H2,1H3,(H,35,37)
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300n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50274262
PNG
(CHEMBL483593 | N-[N'-Propyl-N'-[4-(2-trimethylsily...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C[Si](C)(C)C
Show InChI InChI=1S/C31H42N2OSi/c1-5-23-33(30-19-13-26(14-20-30)21-25-35(2,3)4)24-10-9-22-32-31(34)29-17-15-28(16-18-29)27-11-7-6-8-12-27/h6-8,11-13,15-18,30H,5,9-10,14,19-20,22-24H2,1-4H3,(H,32,34)
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360n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2short receptor expressed in CHO cells


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Sus scrofa)
BDBM50274355
PNG
(CHEMBL484358 | N-[N'-(4-Ethynylcyclohex-3-en-1-yl)...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)
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2.90E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor in pig striatal membrane


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50274354
PNG
(CHEMBL484357 | N-[N'-Propyl-N'-[4-(2-phenylethynyl...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#Cc1ccccc1
Show InChI InChI=1S/C34H38N2O/c1-2-26-36(33-23-17-29(18-24-33)16-15-28-11-5-3-6-12-28)27-10-9-25-35-34(37)32-21-19-31(20-22-32)30-13-7-4-8-14-30/h3-8,11-14,17,19-22,33H,2,9-10,18,23-27H2,1H3,(H,35,37)
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3.10E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4 receptor expressed in CHO cells


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Sus scrofa)
BDBM50274262
PNG
(CHEMBL483593 | N-[N'-Propyl-N'-[4-(2-trimethylsily...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C[Si](C)(C)C
Show InChI InChI=1S/C31H42N2OSi/c1-5-23-33(30-19-13-26(14-20-30)21-25-35(2,3)4)24-10-9-22-32-31(34)29-17-15-28(16-18-29)27-11-7-6-8-12-27/h6-8,11-13,15-18,30H,5,9-10,14,19-20,22-24H2,1-4H3,(H,32,34)
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3.80E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor in pig striatal membrane


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50274354
PNG
(CHEMBL484357 | N-[N'-Propyl-N'-[4-(2-phenylethynyl...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#Cc1ccccc1
Show InChI InChI=1S/C34H38N2O/c1-2-26-36(33-23-17-29(18-24-33)16-15-28-11-5-3-6-12-28)27-10-9-25-35-34(37)32-21-19-31(20-22-32)30-13-7-4-8-14-30/h3-8,11-14,17,19-22,33H,2,9-10,18,23-27H2,1H3,(H,35,37)
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4.70E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2short receptor expressed in CHO cells


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50274354
PNG
(CHEMBL484357 | N-[N'-Propyl-N'-[4-(2-phenylethynyl...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#Cc1ccccc1
Show InChI InChI=1S/C34H38N2O/c1-2-26-36(33-23-17-29(18-24-33)16-15-28-11-5-3-6-12-28)27-10-9-25-35-34(37)32-21-19-31(20-22-32)30-13-7-4-8-14-30/h3-8,11-14,17,19-22,33H,2,9-10,18,23-27H2,1H3,(H,35,37)
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5.50E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2long receptor expressed in CHO cells


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
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9.00E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor transfected in HEK293 cells by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
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1.30E+4n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor transfected in HEK293 cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Sus scrofa)
BDBM50274354
PNG
(CHEMBL484357 | N-[N'-Propyl-N'-[4-(2-phenylethynyl...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#Cc1ccccc1
Show InChI InChI=1S/C34H38N2O/c1-2-26-36(33-23-17-29(18-24-33)16-15-28-11-5-3-6-12-28)27-10-9-25-35-34(37)32-21-19-31(20-22-32)30-13-7-4-8-14-30/h3-8,11-14,17,19-22,33H,2,9-10,18,23-27H2,1H3,(H,35,37)
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1.30E+4n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1 receptor in pig striatal membrane


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50274355
PNG
(CHEMBL484358 | N-[N'-(4-Ethynylcyclohex-3-en-1-yl)...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)
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n/an/an/an/a 2.10n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Intrinsic activity at human D3 receptor expressed in CHO dhfr- cells assessed as inhibition of forskolin-induced cAMP release


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50274355
PNG
(CHEMBL484358 | N-[N'-(4-Ethynylcyclohex-3-en-1-yl)...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)
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n/an/an/an/a 1.60n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Intrinsic activity at human D3 receptor expressed in CHO dhfr- cells by [3H]thymidine incorporation assay


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Intrinsic activity at human dopamine D2S receptor expressed in HEK293 cells co-transfected with Galphai2 assessed as [35S]GTPgammaS binding after 30 ...


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
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n/an/an/an/a 92n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Intrinsic activity at human dopamine D2L receptor expressed in HEK293 cells co-transfected with Galpha0i assessed as [35S]GTPgammaS binding after 30 ...


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Intrinsic activity at human dopamine D2L receptor expressed in HEK293 cells co-transfected with Galphai2 assessed as [35S]GTPgammaS binding after 30 ...


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
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n/an/an/an/a 16n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Agonist activity at ARMS2-PK2-tagged human dopamine D2S receptor expressed in HEK293 cells co-expressing (EA)-tagged beta arrestin fusion protein ass...


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
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n/an/an/an/a 130n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Intrinsic activity at human dopamine D2S receptor expressed in HEK293 cells co-transfected with Galpha0i assessed as [35S]GTPgammaS binding after 30 ...


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair