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BDBM50194656 (2R)-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-yl]carbonyl-N-(4-piperidinylmethyl)pyrrolidine-2-carboxamide::CHEMBL214642

SMILES: O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1

InChI Key: InChIKey=IPLIEWKYFXHNMH-SLGZMBILSA-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 = 50194656   
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))
BDBM50194656
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)NCC1CCNCC1
Show InChI InChI=1S/C37H44N4O4/c42-31-23-33(36(45)40-22-10-17-32(40)35(44)39-25-27-18-20-38-21-19-27)41(26-31)34(43)24-37(28-11-4-1-5-12-28,29-13-6-2-7-14-29)30-15-8-3-9-16-30/h1-9,11-16,27,31-33,38,42H,10,17-26H2,(H,39,44)/t31-,32-,33+/m1/s1
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Article
PubMed
4.20n/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))
BDBM50194656
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)NCC1CCNCC1
Show InChI InChI=1S/C37H44N4O4/c42-31-23-33(36(45)40-22-10-17-32(40)35(44)39-25-27-18-20-38-21-19-27)41(26-31)34(43)24-37(28-11-4-1-5-12-28,29-13-6-2-7-14-29)30-15-8-3-9-16-30/h1-9,11-16,27,31-33,38,42H,10,17-26H2,(H,39,44)/t31-,32-,33+/m1/s1
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PubMed
480n/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 M1


(Homo sapiens (Human))
BDBM50194656
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)NCC1CCNCC1
Show InChI InChI=1S/C37H44N4O4/c42-31-23-33(36(45)40-22-10-17-32(40)35(44)39-25-27-18-20-38-21-19-27)41(26-31)34(43)24-37(28-11-4-1-5-12-28,29-13-6-2-7-14-29)30-15-8-3-9-16-30/h1-9,11-16,27,31-33,38,42H,10,17-26H2,(H,39,44)/t31-,32-,33+/m1/s1
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Article
PubMed
1.80E+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 M2


(Homo sapiens (Human))
BDBM50194656
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)NCC1CCNCC1
Show InChI InChI=1S/C37H44N4O4/c42-31-23-33(36(45)40-22-10-17-32(40)35(44)39-25-27-18-20-38-21-19-27)41(26-31)34(43)24-37(28-11-4-1-5-12-28,29-13-6-2-7-14-29)30-15-8-3-9-16-30/h1-9,11-16,27,31-33,38,42H,10,17-26H2,(H,39,44)/t31-,32-,33+/m1/s1
PDB

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Similars

Article
PubMed
3.00E+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 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 M5


(Homo sapiens (Human))
BDBM50194656
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)NCC1CCNCC1
Show InChI InChI=1S/C37H44N4O4/c42-31-23-33(36(45)40-22-10-17-32(40)35(44)39-25-27-18-20-38-21-19-27)41(26-31)34(43)24-37(28-11-4-1-5-12-28,29-13-6-2-7-14-29)30-15-8-3-9-16-30/h1-9,11-16,27,31-33,38,42H,10,17-26H2,(H,39,44)/t31-,32-,33+/m1/s1
Reactome pathway
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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