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4 similar compounds to monomer 50095109

Compile data set for download or QSAR
Wt: 572.6
BDBM50095112
Wt: 572.7
BDBM50095098
Wt: 600.7
BDBM50095104
Wt: 600.7
BDBM50095111

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50095112,50095098,50095104,50095111   
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 M2


(Homo sapiens (Human))
BDBM50095111
PNG
(4-{(4R,5R)-2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phe...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(O[C@H](C)[C@@H](C)O1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H40N2O8S/c1-4-37-30(34)33-17-13-25(14-18-33)32-15-11-24(12-16-32)31(40-21(2)22(3)41-31)23-5-7-26(8-6-23)42(35,36)27-9-10-28-29(19-27)39-20-38-28/h5-10,19,21-22,24-25H,4,11-18,20H2,1-3H3/t21-,22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.0300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human cloned acetylcholine receptor M2 in CHO cells.


Bioorg Med Chem Lett 10: 2727-30 (2000)


Article DOI: 10.1016/s0960-894x(00)00553-9
BindingDB Entry DOI: 10.7270/Q2V40TGZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50095112
PNG
(4-{2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-[1,...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H36N2O8S/c1-2-35-28(32)31-15-11-23(12-16-31)30-13-9-22(10-14-30)29(38-17-18-39-29)21-3-5-24(6-4-21)40(33,34)25-7-8-26-27(19-25)37-20-36-26/h3-8,19,22-23H,2,9-18,20H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.0730n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human cloned acetylcholine receptor M2 in CHO cells.


Bioorg Med Chem Lett 10: 2727-30 (2000)


Article DOI: 10.1016/s0960-894x(00)00553-9
BindingDB Entry DOI: 10.7270/Q2V40TGZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50095098
PNG
(4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]d...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCCO1)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C30H40N2O7S/c1-3-37-29(33)32-19-15-25(16-20-32)31-17-13-24(14-18-31)30(38-21-4-22-39-30)23-5-9-27(10-6-23)40(34,35)28-11-7-26(36-2)8-12-28/h5-12,24-25H,3-4,13-22H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.720n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human cloned acetylcholine receptor M2 in CHO cells.


Bioorg Med Chem Lett 10: 2727-30 (2000)


Article DOI: 10.1016/s0960-894x(00)00553-9
BindingDB Entry DOI: 10.7270/Q2V40TGZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50095104
PNG
(4-{(4S,5S)-2-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phe...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(O[C@@H](C)[C@H](C)O1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H40N2O8S/c1-4-37-30(34)33-17-13-25(14-18-33)32-15-11-24(12-16-32)31(40-21(2)22(3)41-31)23-5-7-26(8-6-23)42(35,36)27-9-10-28-29(19-27)39-20-38-28/h5-10,19,21-22,24-25H,4,11-18,20H2,1-3H3/t21-,22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human cloned acetylcholine receptor M2 in CHO cells.


Bioorg Med Chem Lett 10: 2727-30 (2000)


Article DOI: 10.1016/s0960-894x(00)00553-9
BindingDB Entry DOI: 10.7270/Q2V40TGZ
More data for this
Ligand-Target Pair