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BDBM50194647 (2R)-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-yl]carbonyl-N-(4-piperidinylethyl)pyrrolidine-2-carboxamide::CHEMBL211976

SMILES: O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1

InChI Key: InChIKey=KFVGSPFDTINYRJ-SXLOSVNLSA-N

Data: 5 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 5 hits for monomerid = 50194647   
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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50194647
PNG
((2R)-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropan...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1
Show InChI InChI=1S/C38H46N4O4/c43-32-25-34(37(46)41-24-10-17-33(41)36(45)40-23-20-28-18-21-39-22-19-28)42(27-32)35(44)26-38(29-11-4-1-5-12-29,30-13-6-2-7-14-30)31-15-8-3-9-16-31/h1-9,11-16,28,32-34,39,43H,10,17-27H2,(H,40,45)/t32-,33-,34+/m1/s1
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Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells


J Med Chem 49: 5653-63 (2006)


Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50194647
PNG
((2R)-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropan...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1
Show InChI InChI=1S/C38H46N4O4/c43-32-25-34(37(46)41-24-10-17-33(41)36(45)40-23-20-28-18-21-39-22-19-28)42(27-32)35(44)26-38(29-11-4-1-5-12-29,30-13-6-2-7-14-30)31-15-8-3-9-16-31/h1-9,11-16,28,32-34,39,43H,10,17-27H2,(H,40,45)/t32-,33-,34+/m1/s1
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PubMed
150n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human cloned M4 receptor expressed in CHO cells


J Med Chem 49: 5653-63 (2006)


Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50194647
PNG
((2R)-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropan...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1
Show InChI InChI=1S/C38H46N4O4/c43-32-25-34(37(46)41-24-10-17-33(41)36(45)40-23-20-28-18-21-39-22-19-28)42(27-32)35(44)26-38(29-11-4-1-5-12-29,30-13-6-2-7-14-30)31-15-8-3-9-16-31/h1-9,11-16,28,32-34,39,43H,10,17-27H2,(H,40,45)/t32-,33-,34+/m1/s1
PDB

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PC sid
UniChem

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Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human cloned M2 receptor expressed in CHO cells


J Med Chem 49: 5653-63 (2006)


Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50194647
PNG
((2R)-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropan...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1
Show InChI InChI=1S/C38H46N4O4/c43-32-25-34(37(46)41-24-10-17-33(41)36(45)40-23-20-28-18-21-39-22-19-28)42(27-32)35(44)26-38(29-11-4-1-5-12-29,30-13-6-2-7-14-30)31-15-8-3-9-16-31/h1-9,11-16,28,32-34,39,43H,10,17-27H2,(H,40,45)/t32-,33-,34+/m1/s1
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human cloned M1 receptor expressed in CHO cells


J Med Chem 49: 5653-63 (2006)


Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50194647
PNG
((2R)-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropan...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1
Show InChI InChI=1S/C38H46N4O4/c43-32-25-34(37(46)41-24-10-17-33(41)36(45)40-23-20-28-18-21-39-22-19-28)42(27-32)35(44)26-38(29-11-4-1-5-12-29,30-13-6-2-7-14-30)31-15-8-3-9-16-31/h1-9,11-16,28,32-34,39,43H,10,17-27H2,(H,40,45)/t32-,33-,34+/m1/s1
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Article
PubMed
>5.10E+3n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human cloned M5 receptor expressed in CHO cells


J Med Chem 49: 5653-63 (2006)


Article DOI: 10.1021/jm051205r
BindingDB Entry DOI: 10.7270/Q2F76C6K
More data for this
Ligand-Target Pair