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BDBM50253157 (+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methylpyrrolidine::(+)-(2R)-2-[2-[[(R)-p-chloro-alpha-methyl-alpha-phenylbenzyl]oxy]ethyl]-1-methylpyrrolidine::(2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine::CHEMBL1626::CLEMASTINE

SMILES: CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1

InChI Key: InChIKey=YNNUSGIPVFPVBX-NHCUHLMSSA-N

Data: 11 KI  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50253157   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50253157
PNG
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)
Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
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10n/an/an/an/an/an/an/an/a



QBI COVID-19 Research Group (QCRG)

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocin from the Sigma1 receptor


Nature 583: 459-468 (2020)


Article DOI: 10.1038/s41586-020-2286-9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50253157
PNG
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)
Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
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20n/an/an/an/an/an/an/an/a



QBI COVID-19 Research Group (QCRG)

Curated by ChEMBL


Assay Description
Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB


Nature 583: 459-468 (2020)


Article DOI: 10.1038/s41586-020-2286-9
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50253157
PNG
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)
Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
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25n/an/an/an/an/an/an/an/a



QBI COVID-19 Research Group (QCRG)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from the Sigma2 receptor


Nature 583: 459-468 (2020)


Article DOI: 10.1038/s41586-020-2286-9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50253157
PNG
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)
Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
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28n/an/an/an/an/an/an/an/a



QBI COVID-19 Research Group (QCRG)

Curated by ChEMBL


Assay Description
Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB


Nature 583: 459-468 (2020)


Article DOI: 10.1038/s41586-020-2286-9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50253157
PNG
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)
Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
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54n/an/an/an/an/an/an/an/a



QBI COVID-19 Research Group (QCRG)

Curated by ChEMBL


Assay Description
Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4) by displacement of 3H-QNB


Nature 583: 459-468 (2020)


Article DOI: 10.1038/s41586-020-2286-9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3


(Homo sapiens (Human))
BDBM50253157
PNG
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)
Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
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56n/an/an/an/an/an/an/an/a



QBI COVID-19 Research Group (QCRG)

Curated by ChEMBL


Assay Description
Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB


Nature 583: 459-468 (2020)


Article DOI: 10.1038/s41586-020-2286-9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M5


(Homo sapiens (Human))
BDBM50253157
PNG
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)
Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
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117n/an/an/an/an/an/an/an/a



QBI COVID-19 Research Group (QCRG)

Curated by ChEMBL


Assay Description
Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB


Nature 583: 459-468 (2020)


Article DOI: 10.1038/s41586-020-2286-9
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50253157
PNG
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)
Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
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158n/an/an/an/an/an/an/an/a



QBI COVID-19 Research Group (QCRG)

Curated by ChEMBL


Assay Description
hERG binding assays: Displacement of [3H]-Dofetilide (5 nM final) from hERG membranes obtained from HEK293 cells


Nature 583: 459-468 (2020)


Article DOI: 10.1038/s41586-020-2286-9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens)
BDBM50253157
PNG
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)
Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
MMDB

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170n/an/an/an/an/an/an/an/a



QBI COVID-19 Research Group (QCRG)

Curated by ChEMBL


Assay Description
Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine


Nature 583: 459-468 (2020)


Article DOI: 10.1038/s41586-020-2286-9
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50253157
PNG
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)
Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
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224n/an/an/an/an/an/an/an/a



QBI COVID-19 Research Group (QCRG)

Curated by ChEMBL


Assay Description
Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine


Nature 583: 459-468 (2020)


Article DOI: 10.1038/s41586-020-2286-9
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50253157
PNG
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)
Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
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479n/an/an/an/an/an/an/an/a



QBI COVID-19 Research Group (QCRG)

Curated by ChEMBL


Assay Description
Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine


Nature 583: 459-468 (2020)


Article DOI: 10.1038/s41586-020-2286-9
More data for this
Ligand-Target Pair
Adrenergic Alpha


(Homo sapiens (Human))
BDBM50253157
PNG
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)
Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy


J Med Chem 51: 5932-42 (2008)


Article DOI: 10.1021/jm8003152
BindingDB Entry DOI: 10.7270/Q23779MD
More data for this
Ligand-Target Pair