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BDBM50346422 10-(3-(4-hydroxypiperidin-1-yl)propyl)-10H-phenothiazine-2-carbonitrile::CHEMBL251940::PROPERICIAZINE::periciazine

SMILES: OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1

InChI Key: InChIKey=LUALIOATIOESLM-UHFFFAOYSA-N

Data: 6 KI  2 IC50  1 Kd

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 9 hits for monomerid = 50346422   
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50346422
PNG
(10-(3-(4-hydroxypiperidin-1-yl)propyl)-10H-phenoth...)
Show SMILES OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
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4.10n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


Article DOI: 10.1016/0014-2999(86)90335-3
BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM50346422
PNG
(10-(3-(4-hydroxypiperidin-1-yl)propyl)-10H-phenoth...)
Show SMILES OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
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160n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


Article DOI: 10.1016/0014-2999(86)90335-3
BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM50346422
PNG
(10-(3-(4-hydroxypiperidin-1-yl)propyl)-10H-phenoth...)
Show SMILES OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
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220n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


Article DOI: 10.1016/0014-2999(86)90335-3
BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM50346422
PNG
(10-(3-(4-hydroxypiperidin-1-yl)propyl)-10H-phenoth...)
Show SMILES OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
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2.00E+3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


Article DOI: 10.1016/0014-2999(86)90335-3
BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50346422
PNG
(10-(3-(4-hydroxypiperidin-1-yl)propyl)-10H-phenoth...)
Show SMILES OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
PDB
MMDB

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3.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]mibolerone from rat androgen receptor


Proc Natl Acad Sci U S A 104: 11927-32 (2007)


Article DOI: 10.1073/pnas.0609752104
BindingDB Entry DOI: 10.7270/Q2MP544F
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM50346422
PNG
(10-(3-(4-hydroxypiperidin-1-yl)propyl)-10H-phenoth...)
Show SMILES OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
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3.20E+3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


Article DOI: 10.1016/0014-2999(86)90335-3
BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50346422
PNG
(10-(3-(4-hydroxypiperidin-1-yl)propyl)-10H-phenoth...)
Show SMILES OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
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n/an/an/a 7.59E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to bovine serum albumin by circular dichroic probe technique


J Med Chem 20: 430-9 (1977)


BindingDB Entry DOI: 10.7270/Q2ZC85WV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50346422
PNG
(10-(3-(4-hydroxypiperidin-1-yl)propyl)-10H-phenoth...)
Show SMILES OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
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n/an/a 230n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50346422
PNG
(10-(3-(4-hydroxypiperidin-1-yl)propyl)-10H-phenoth...)
Show SMILES OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
PDB
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE using acetylthiocholine iodide as a substrate after 20 mins by Ellman's assay


Eur J Med Chem 46: 2170-84 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.071
BindingDB Entry DOI: 10.7270/Q2BK1CPG
More data for this
Ligand-Target Pair