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BDBM50239419 CHEMBL4064186

SMILES: Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2cccnc12

InChI Key: InChIKey=OYKQSDLPRQMVDA-UHFFFAOYSA-N

Data: 7 KI

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 7 hits for monomerid = 50239419   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50239419
PNG
(CHEMBL4064186)
Show SMILES Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2cccnc12
Show InChI InChI=1S/C26H30N4O3/c31-24-9-8-23(21-4-3-11-27-26(21)24)30-15-13-29(14-16-30)12-1-2-17-33-20-7-5-19-6-10-25(32)28-22(19)18-20/h3-5,7-9,11,18,31H,1-2,6,10,12-17H2,(H,28,32)
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Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-Nuernberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2SR expressed in CHO cell membranes by radioligand binding assay


J Med Chem 60: 4693-4713 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00363
BindingDB Entry DOI: 10.7270/Q2QC05NH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50239419
PNG
(CHEMBL4064186)
Show SMILES Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2cccnc12
Show InChI InChI=1S/C26H30N4O3/c31-24-9-8-23(21-4-3-11-27-26(21)24)30-15-13-29(14-16-30)12-1-2-17-33-20-7-5-19-6-10-25(32)28-22(19)18-20/h3-5,7-9,11,18,31H,1-2,6,10,12-17H2,(H,28,32)
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Article
PubMed
3.40n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-Nuernberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2LR expressed in CHO cell membranes by radioligand binding assay


J Med Chem 60: 4693-4713 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00363
BindingDB Entry DOI: 10.7270/Q2QC05NH
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50239419
PNG
(CHEMBL4064186)
Show SMILES Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2cccnc12
Show InChI InChI=1S/C26H30N4O3/c31-24-9-8-23(21-4-3-11-27-26(21)24)30-15-13-29(14-16-30)12-1-2-17-33-20-7-5-19-6-10-25(32)28-22(19)18-20/h3-5,7-9,11,18,31H,1-2,6,10,12-17H2,(H,28,32)
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27n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-Nuernberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3R expressed in CHO cell membranes by radioligand binding assay


J Med Chem 60: 4693-4713 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00363
BindingDB Entry DOI: 10.7270/Q2QC05NH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50239419
PNG
(CHEMBL4064186)
Show SMILES Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2cccnc12
Show InChI InChI=1S/C26H30N4O3/c31-24-9-8-23(21-4-3-11-27-26(21)24)30-15-13-29(14-16-30)12-1-2-17-33-20-7-5-19-6-10-25(32)28-22(19)18-20/h3-5,7-9,11,18,31H,1-2,6,10,12-17H2,(H,28,32)
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39n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-Nuernberg

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2AR expressed in HEK293T cell membranes by radioligand binding assay


J Med Chem 60: 4693-4713 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00363
BindingDB Entry DOI: 10.7270/Q2QC05NH
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50239419
PNG
(CHEMBL4064186)
Show SMILES Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2cccnc12
Show InChI InChI=1S/C26H30N4O3/c31-24-9-8-23(21-4-3-11-27-26(21)24)30-15-13-29(14-16-30)12-1-2-17-33-20-7-5-19-6-10-25(32)28-22(19)18-20/h3-5,7-9,11,18,31H,1-2,6,10,12-17H2,(H,28,32)
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Article
PubMed
94n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-Nuernberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4R expressed in CHO cell membranes by radioligand binding assay


J Med Chem 60: 4693-4713 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00363
BindingDB Entry DOI: 10.7270/Q2QC05NH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50239419
PNG
(CHEMBL4064186)
Show SMILES Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2cccnc12
Show InChI InChI=1S/C26H30N4O3/c31-24-9-8-23(21-4-3-11-27-26(21)24)30-15-13-29(14-16-30)12-1-2-17-33-20-7-5-19-6-10-25(32)28-22(19)18-20/h3-5,7-9,11,18,31H,1-2,6,10,12-17H2,(H,28,32)
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Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-Nuernberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D1R expressed in HEK293T cell membranes by radioligand binding assay


J Med Chem 60: 4693-4713 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00363
BindingDB Entry DOI: 10.7270/Q2QC05NH
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50239419
PNG
(CHEMBL4064186)
Show SMILES Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2cccnc12
Show InChI InChI=1S/C26H30N4O3/c31-24-9-8-23(21-4-3-11-27-26(21)24)30-15-13-29(14-16-30)12-1-2-17-33-20-7-5-19-6-10-25(32)28-22(19)18-20/h3-5,7-9,11,18,31H,1-2,6,10,12-17H2,(H,28,32)
UniProtKB/SwissProt

antibodypedia
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Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-Nuernberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human D5R expressed in HEK293T cell membranes by radioligand binding assay


J Med Chem 60: 4693-4713 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00363
BindingDB Entry DOI: 10.7270/Q2QC05NH
More data for this
Ligand-Target Pair