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BDBM50505700 CHEMBL4442460

SMILES: COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1

InChI Key: InChIKey=QAESTHCUZJPQGF-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 = 50505700   
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))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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0.25n/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))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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1.70n/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))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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17n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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65n/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))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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73n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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77n/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))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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170n/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))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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200n/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
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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340n/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
Alpha-2A adrenergic receptor


(Homo sapiens)
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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400n/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
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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1.80E+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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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2.00E+3n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Displacement of [3H] 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))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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3.90E+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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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1.00E+4n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Displacement of [3H] 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
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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1.30E+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
Muscarinic acetylcholine receptor M2 and M5


(Homo sapiens (Human))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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1.40E+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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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2.50E+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 M3


(Homo sapiens (Human))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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2.50E+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 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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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n/an/an/an/a 250n/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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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UniProtKB/SwissProt

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UniChem
Article
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n/an/an/an/a 8.70n/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))
BDBM50505700
PNG
(CHEMBL4442460)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O2/c1-35-27-16-9-8-15-26(27)32-21-19-31(20-22-32)18-10-17-29-28(34)30-33(25-13-6-3-7-14-25)23-24-11-4-2-5-12-24/h2-9,11-16H,10,17-23H2,1H3,(H2,29,30,34)
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 450n/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