BindingDB logo
myBDB logout

BDBM50194658 (2R)-N-(1-cyclopropylmethyl-4-piperidinylmethyl)-1-((2S,4R)-4-hydroxy-1 -[3,3,3-tris(4-fluorophenyl)propanoyl]pyrrolidine-2-yl)carbonylpyrrolidine-2-carboxamide::CHEMBL378772

SMILES: O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CC2)CC1

InChI Key: InChIKey=UUQTXJMGYQWWJC-RQOYOAKWSA-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 = 50194658   
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))
BDBM50194658
PNG
((2R)-N-(1-cyclopropylmethyl-4-piperidinylmethyl)-1...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C41H47F3N4O4/c42-32-11-5-29(6-12-32)41(30-7-13-33(43)14-8-30,31-9-15-34(44)16-10-31)23-38(50)48-26-35(49)22-37(48)40(52)47-19-1-2-36(47)39(51)45-24-27-17-20-46(21-18-27)25-28-3-4-28/h5-16,27-28,35-37,49H,1-4,17-26H2,(H,45,51)/t35-,36-,37+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.170n/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))
BDBM50194658
PNG
((2R)-N-(1-cyclopropylmethyl-4-piperidinylmethyl)-1...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C41H47F3N4O4/c42-32-11-5-29(6-12-32)41(30-7-13-33(43)14-8-30,31-9-15-34(44)16-10-31)23-38(50)48-26-35(49)22-37(48)40(52)47-19-1-2-36(47)39(51)45-24-27-17-20-46(21-18-27)25-28-3-4-28/h5-16,27-28,35-37,49H,1-4,17-26H2,(H,45,51)/t35-,36-,37+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 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))
BDBM50194658
PNG
((2R)-N-(1-cyclopropylmethyl-4-piperidinylmethyl)-1...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C41H47F3N4O4/c42-32-11-5-29(6-12-32)41(30-7-13-33(43)14-8-30,31-9-15-34(44)16-10-31)23-38(50)48-26-35(49)22-37(48)40(52)47-19-1-2-36(47)39(51)45-24-27-17-20-46(21-18-27)25-28-3-4-28/h5-16,27-28,35-37,49H,1-4,17-26H2,(H,45,51)/t35-,36-,37+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
65n/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))
BDBM50194658
PNG
((2R)-N-(1-cyclopropylmethyl-4-piperidinylmethyl)-1...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C41H47F3N4O4/c42-32-11-5-29(6-12-32)41(30-7-13-33(43)14-8-30,31-9-15-34(44)16-10-31)23-38(50)48-26-35(49)22-37(48)40(52)47-19-1-2-36(47)39(51)45-24-27-17-20-46(21-18-27)25-28-3-4-28/h5-16,27-28,35-37,49H,1-4,17-26H2,(H,45,51)/t35-,36-,37+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
73n/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/M5 chimeric protein


(Homo sapiens (Human))
BDBM50194658
PNG
((2R)-N-(1-cyclopropylmethyl-4-piperidinylmethyl)-1...)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C41H47F3N4O4/c42-32-11-5-29(6-12-32)41(30-7-13-33(43)14-8-30,31-9-15-34(44)16-10-31)23-38(50)48-26-35(49)22-37(48)40(52)47-19-1-2-36(47)39(51)45-24-27-17-20-46(21-18-27)25-28-3-4-28/h5-16,27-28,35-37,49H,1-4,17-26H2,(H,45,51)/t35-,36-,37+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+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