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BDBM50436542 CHEMBL2397389

SMILES: CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@@H]1CCC(=CC1)C#C

InChI Key: InChIKey=PWZPBZQTTHOCIS-MHZLTWQESA-N

Data: 10 KI  5 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50436542   
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
Dopamine receptor


(Homo sapiens (Human))
BDBM50436542
PNG
(CHEMBL2397389)
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-/m0/s1
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0.120n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436542
PNG
(CHEMBL2397389)
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-/m0/s1
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0.600n/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
Dopamine receptor


(Homo sapiens (Human))
BDBM50436542
PNG
(CHEMBL2397389)
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-/m0/s1
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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 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))
BDBM50436542
PNG
(CHEMBL2397389)
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-/m0/s1
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8.80n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436542
PNG
(CHEMBL2397389)
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-/m0/s1
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11n/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))
BDBM50436542
PNG
(CHEMBL2397389)
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-/m0/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 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))
BDBM50436542
PNG
(CHEMBL2397389)
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-/m0/s1
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18n/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
Dopamine D1 receptor


(Sus scrofa)
BDBM50436542
PNG
(CHEMBL2397389)
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-/m0/s1
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300n/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(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50436542
PNG
(CHEMBL2397389)
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-/m0/s1
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1.80E+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
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50436542
PNG
(CHEMBL2397389)
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-/m0/s1
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2.80E+4n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436542
PNG
(CHEMBL2397389)
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-/m0/s1
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n/an/an/an/a 2.40E+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))
BDBM50436542
PNG
(CHEMBL2397389)
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-/m0/s1
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n/an/an/an/a 55n/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))
BDBM50436542
PNG
(CHEMBL2397389)
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-/m0/s1
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n/an/an/an/a 66n/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))
BDBM50436542
PNG
(CHEMBL2397389)
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-/m0/s1
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n/an/an/an/a 140n/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))
BDBM50436542
PNG
(CHEMBL2397389)
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-/m0/s1
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n/an/an/an/a 400n/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