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3 similar compounds to monomer 50095660

Compile data set for download or QSAR
Wt: 443.5
BDBM50095659
Wt: 393.5
BDBM50095673
Wt: 429.5
BDBM50095682

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50095659,50095673,50095682   
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))
BDBM50095659
PNG
(2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(6-met...)
Show SMILES Cc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1
Show InChI InChI=1S/C25H31F2N3O2/c1-18-6-5-9-22(28-18)17-30-14-11-21(12-15-30)29-23(31)25(32,19-7-3-2-4-8-19)20-10-13-24(26,27)16-20/h2-9,20-21,32H,10-17H2,1H3,(H,29,31)/t20-,25+/m1/s1
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PubMed
8.90n/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 M3


(Homo sapiens (Human))
BDBM50095682
PNG
(2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-N-...)
Show SMILES O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1
Show InChI InChI=1S/C24H29F2N3O2/c25-23(26)12-9-19(16-23)24(31,18-6-2-1-3-7-18)22(30)28-20-10-14-29(15-11-20)17-21-8-4-5-13-27-21/h1-8,13,19-20,31H,9-12,14-17H2,(H,28,30)/t19-,24+/m1/s1
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13n/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 M3


(Homo sapiens (Human))
BDBM50095673
PNG
(2-Cyclopentyl-2-hydroxy-2-phenyl-N-(1-pyridin-2-yl...)
Show SMILES OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1
Show InChI InChI=1/C24H31N3O2/c28-23(24(29,20-10-4-5-11-20)19-8-2-1-3-9-19)26-21-13-16-27(17-14-21)18-22-12-6-7-15-25-22/h1-3,6-9,12,15,20-21,29H,4-5,10-11,13-14,16-18H2,(H,26,28)
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14n/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))
BDBM50095682
PNG
(2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-N-...)
Show SMILES O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1
Show InChI InChI=1S/C24H29F2N3O2/c25-23(26)12-9-19(16-23)24(31,18-6-2-1-3-7-18)22(30)28-20-10-14-29(15-11-20)17-21-8-4-5-13-27-21/h1-8,13,19-20,31H,9-12,14-17H2,(H,28,30)/t19-,24+/m1/s1
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15n/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))
BDBM50095673
PNG
(2-Cyclopentyl-2-hydroxy-2-phenyl-N-(1-pyridin-2-yl...)
Show SMILES OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1
Show InChI InChI=1/C24H31N3O2/c28-23(24(29,20-10-4-5-11-20)19-8-2-1-3-9-19)26-21-13-16-27(17-14-21)18-22-12-6-7-15-25-22/h1-3,6-9,12,15,20-21,29H,4-5,10-11,13-14,16-18H2,(H,26,28)
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Article
PubMed
26n/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))
BDBM50095659
PNG
(2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(6-met...)
Show SMILES Cc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1
Show InChI InChI=1S/C25H31F2N3O2/c1-18-6-5-9-22(28-18)17-30-14-11-21(12-15-30)29-23(31)25(32,19-7-3-2-4-8-19)20-10-13-24(26,27)16-20/h2-9,20-21,32H,10-17H2,1H3,(H,29,31)/t20-,25+/m1/s1
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
26n/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))
BDBM50095673
PNG
(2-Cyclopentyl-2-hydroxy-2-phenyl-N-(1-pyridin-2-yl...)
Show SMILES OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1
Show InChI InChI=1/C24H31N3O2/c28-23(24(29,20-10-4-5-11-20)19-8-2-1-3-9-19)26-21-13-16-27(17-14-21)18-22-12-6-7-15-25-22/h1-3,6-9,12,15,20-21,29H,4-5,10-11,13-14,16-18H2,(H,26,28)
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UniChem

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Article
PubMed
320n/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 M2


(Homo sapiens (Human))
BDBM50095682
PNG
(2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-N-...)
Show SMILES O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1
Show InChI InChI=1S/C24H29F2N3O2/c25-23(26)12-9-19(16-23)24(31,18-6-2-1-3-7-18)22(30)28-20-10-14-29(15-11-20)17-21-8-4-5-13-27-21/h1-8,13,19-20,31H,9-12,14-17H2,(H,28,30)/t19-,24+/m1/s1
PDB

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Article
PubMed
2.40E+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
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50095659
PNG
(2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(6-met...)
Show SMILES Cc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1
Show InChI InChI=1S/C25H31F2N3O2/c1-18-6-5-9-22(28-18)17-30-14-11-21(12-15-30)29-23(31)25(32,19-7-3-2-4-8-19)20-10-13-24(26,27)16-20/h2-9,20-21,32H,10-17H2,1H3,(H,29,31)/t20-,25+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.70E+4n/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