BindingDB logo
myBDB logout

3 similar compounds to monomer 50095678

Compile data set for download or QSAR
Wt: 392.5
BDBM50095661
Wt: 418.4
BDBM50095665
Wt: 406.5
BDBM50095676

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50095661,50095665,50095676   
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))
BDBM50095661
PNG
(CHEMBL146464 | N-(1-Benzyl-piperidin-4-yl)-2-cyclo...)
Show SMILES OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1/C25H32N2O2/c28-24(25(29,22-13-7-8-14-22)21-11-5-2-6-12-21)26-23-15-17-27(18-16-23)19-20-9-3-1-4-10-20/h1-6,9-12,22-23,29H,7-8,13-19H2,(H,26,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095661
PNG
(CHEMBL146464 | N-(1-Benzyl-piperidin-4-yl)-2-cyclo...)
Show SMILES OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1/C25H32N2O2/c28-24(25(29,22-13-7-8-14-22)21-11-5-2-6-12-21)26-23-15-17-27(18-16-23)19-20-9-3-1-4-10-20/h1-6,9-12,22-23,29H,7-8,13-19H2,(H,26,28)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095676
PNG
(2-Cyclopentyl-2-hydroxy-N-[1-(4-methyl-benzyl)-pip...)
Show SMILES Cc1ccc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)cc1
Show InChI InChI=1/C26H34N2O2/c1-20-11-13-21(14-12-20)19-28-17-15-24(16-18-28)27-25(29)26(30,23-9-5-6-10-23)22-7-3-2-4-8-22/h2-4,7-8,11-14,23-24,30H,5-6,9-10,15-19H2,1H3,(H,27,29)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50095676
PNG
(2-Cyclopentyl-2-hydroxy-N-[1-(4-methyl-benzyl)-pip...)
Show SMILES Cc1ccc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)cc1
Show InChI InChI=1/C26H34N2O2/c1-20-11-13-21(14-12-20)19-28-17-15-24(16-18-28)27-25(29)26(30,23-9-5-6-10-23)22-7-3-2-4-8-22/h2-4,7-8,11-14,23-24,30H,5-6,9-10,15-19H2,1H3,(H,27,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.40n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50095676
PNG
(2-Cyclopentyl-2-hydroxy-N-[1-(4-methyl-benzyl)-pip...)
Show SMILES Cc1ccc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)cc1
Show InChI InChI=1/C26H34N2O2/c1-20-11-13-21(14-12-20)19-28-17-15-24(16-18-28)27-25(29)26(30,23-9-5-6-10-23)22-7-3-2-4-8-22/h2-4,7-8,11-14,23-24,30H,5-6,9-10,15-19H2,1H3,(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50095665
PNG
(2-(3,3-Difluoro-cyclopentyl)-N-(1-furan-3-ylmethyl...)
Show SMILES O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccoc2)CC1)c1ccccc1
Show InChI InChI=1S/C23H28F2N2O3/c24-22(25)10-6-19(14-22)23(29,18-4-2-1-3-5-18)21(28)26-20-7-11-27(12-8-20)15-17-9-13-30-16-17/h1-5,9,13,16,19-20,29H,6-8,10-12,14-15H2,(H,26,28)/t19-,23+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50095661
PNG
(CHEMBL146464 | N-(1-Benzyl-piperidin-4-yl)-2-cyclo...)
Show SMILES OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1/C25H32N2O2/c28-24(25(29,22-13-7-8-14-22)21-11-5-2-6-12-21)26-23-15-17-27(18-16-23)19-20-9-3-1-4-10-20/h1-6,9-12,22-23,29H,7-8,13-19H2,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095665
PNG
(2-(3,3-Difluoro-cyclopentyl)-N-(1-furan-3-ylmethyl...)
Show SMILES O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccoc2)CC1)c1ccccc1
Show InChI InChI=1S/C23H28F2N2O3/c24-22(25)10-6-19(14-22)23(29,18-4-2-1-3-5-18)21(28)26-20-7-11-27(12-8-20)15-17-9-13-30-16-17/h1-5,9,13,16,19-20,29H,6-8,10-12,14-15H2,(H,26,28)/t19-,23+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
72n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50095665
PNG
(2-(3,3-Difluoro-cyclopentyl)-N-(1-furan-3-ylmethyl...)
Show SMILES O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccoc2)CC1)c1ccccc1
Show InChI InChI=1S/C23H28F2N2O3/c24-22(25)10-6-19(14-22)23(29,18-4-2-1-3-5-18)21(28)26-20-7-11-27(12-8-20)15-17-9-13-30-16-17/h1-5,9,13,16,19-20,29H,6-8,10-12,14-15H2,(H,26,28)/t19-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.60E+3n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair