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BDBM50505701 CHEMBL4544086

SMILES: COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1

InChI Key: InChIKey=UDYXSPVICNNUPJ-UHFFFAOYSA-N

Data: 18 KI  1 IC50  2 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 21 hits for monomerid = 50505701   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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0.550n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] Spiperone from human D4.4 receptor expressed in CHO cells by competitive radioligand binding assay


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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1.60n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] prazosin from alpha1A adrenergic receptor (unknown origin)


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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34n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] WAY100635 from 5HT1A receptor (unknown origin)


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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110n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] Spiperone from human D2S receptor expressed in CHO cells by competitive radioligand binding assay


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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130n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] Ketanserin from 5HT2A receptor (unknown origin)


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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140n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] Spiperone from human D2L receptor expressed in CHO cells by competitive radioligand binding assay


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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310n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] Spiperone from human D3 receptor expressed in CHO cells by competitive radioligand binding assay


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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360n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] SCH23390 from D1 receptor (unknown origin)


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens)
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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860n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] RX821002 from alpha2A adrenergic receptor (unknown origin)


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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1.00E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] SCH23390 from D5 receptor (unknown origin)


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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2.30E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] diprenorphine from mu opioid receptor (unknown origin)


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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4.30E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] diprenorphine from kappa opioid receptor (unknown origin)


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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4.50E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] CGP12177 from beta2 adrenergic receptor (unknown origin)


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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1.50E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] NMS from muscarinic M1 receptor (unknown origin)


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M5


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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1.70E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] NMS from muscarinic M2 receptor (unknown origin)


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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1.90E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] diprenorphine from delta opioid receptor (unknown origin)


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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3.70E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] NMS from muscarinic M3 receptor (unknown origin)


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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>5.00E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H] CGP12177 from beta1 adrenergic receptor (unknown origin)


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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n/an/an/an/a 41n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human D4 receptor expressed in HEK293T cells co-expressing G-alphaqi assessed as accumulation of inositol monophosphate using d2-...


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
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n/an/a 620n/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at PKA-tagged D4 receptor (unknown origin) expressed in HEK293 cells co-expressing beta-arrestin2 assessed as inhibition of quinp...


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50505701
PNG
(CHEMBL4544086)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H34FN5O2/c1-36-27-11-6-5-10-26(27)33-20-18-32(19-21-33)17-7-16-30-28(35)31-34(25-8-3-2-4-9-25)22-23-12-14-24(29)15-13-23/h2-6,8-15H,7,16-22H2,1H3,(H2,30,31,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 500n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at PKA-tagged D4 receptor (unknown origin) expressed in HEK293 cells co-expressing beta-arrestin2 assessed as induction of beta-arre...


J Med Chem 62: 9658-9679 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01085
More data for this
Ligand-Target Pair