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2 similar compounds to monomer 50098089

Compile data set for download or QSAR
Wt: 516.6
BDBM50098075
Wt: 564.6
BDBM50098091

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50098075,50098091   
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))
BDBM50098091
PNG
(4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenoxy]-[1,4'...)
Show SMILES O=C(Oc1ccccc1)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H32N2O7S/c33-30(39-23-4-2-1-3-5-23)32-16-12-22(13-17-32)31-18-14-25(15-19-31)38-24-6-8-26(9-7-24)40(34,35)27-10-11-28-29(20-27)37-21-36-28/h1-11,20,22,25H,12-19,21H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10n/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))
BDBM50098075
PNG
(4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenoxy]-[1,4'...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H32N2O7S/c1-2-32-26(29)28-13-9-19(10-14-28)27-15-11-21(12-16-27)35-20-3-5-22(6-4-20)36(30,31)23-7-8-24-25(17-23)34-18-33-24/h3-8,17,19,21H,2,9-16,18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/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