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4 similar compounds to monomer 50098090

Compile data set for download or QSAR
Wt: 550.6
BDBM50098080
Wt: 564.7
BDBM50098082
Wt: 550.6
BDBM50098088
Wt: 536.6
BDBM50098093

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50098080,50098082,50098088,50098093   
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))
BDBM50098080
PNG
(4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenoxy]-1'-(p...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H34N2O7S2/c1-2-17-36(29,30)28-15-9-20(10-16-28)27-13-11-22(12-14-27)35-21-3-5-23(6-4-21)37(31,32)24-7-8-25-26(18-24)34-19-33-25/h3-8,18,20,22H,2,9-17,19H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand


Bioorg Med Chem Lett 11: 891-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00100-7
BindingDB Entry DOI: 10.7270/Q2SN087R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50098093
PNG
(4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenoxy]-1'-et...)
Show SMILES CCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H32N2O7S2/c1-2-35(28,29)27-15-9-19(10-16-27)26-13-11-21(12-14-26)34-20-3-5-22(6-4-20)36(30,31)23-7-8-24-25(17-23)33-18-32-24/h3-8,17,19,21H,2,9-16,18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand


Bioorg Med Chem Lett 11: 891-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00100-7
BindingDB Entry DOI: 10.7270/Q2SN087R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50098082
PNG
(4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenoxy]-1'-(b...)
Show SMILES CCCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H36N2O7S2/c1-2-3-18-37(30,31)29-16-10-21(11-17-29)28-14-12-23(13-15-28)36-22-4-6-24(7-5-22)38(32,33)25-8-9-26-27(19-25)35-20-34-26/h4-9,19,21,23H,2-3,10-18,20H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand


Bioorg Med Chem Lett 11: 891-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00100-7
BindingDB Entry DOI: 10.7270/Q2SN087R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50098088
PNG
(4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenoxy]-1'-(p...)
Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H34N2O7S2/c1-19(2)37(31,32)28-15-9-20(10-16-28)27-13-11-22(12-14-27)35-21-3-5-23(6-4-21)36(29,30)24-7-8-25-26(17-24)34-18-33-25/h3-8,17,19-20,22H,9-16,18H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]-QNB as radioligand


Bioorg Med Chem Lett 11: 891-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00100-7
BindingDB Entry DOI: 10.7270/Q2SN087R
More data for this
Ligand-Target Pair