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3 similar compounds to monomer 50098083

Compile data set for download or QSAR
Wt: 599.6
BDBM50098077
Wt: 599.6
BDBM50098078
Wt: 598.7
BDBM50098084

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50098077,50098078,50098084   
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))
BDBM50098084
PNG
(CHEMBL170033 | {4-[4-(Benzo[1,3]dioxole-5-sulfonyl...)
Show SMILES O=C(N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)c1cccc2ccccc12
Show InChI InChI=1S/C34H34N2O6S/c37-34(31-7-3-5-24-4-1-2-6-30(24)31)36-18-14-25(15-19-36)35-20-16-27(17-21-35)42-26-8-10-28(11-9-26)43(38,39)29-12-13-32-33(22-29)41-23-40-32/h1-13,22,25,27H,14-21,23H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/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))
BDBM50098077
PNG
(CHEMBL168483 | {4-[4-(Benzo[1,3]dioxole-5-sulfonyl...)
Show SMILES O=C(N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)c1ccnc2ccccc12
Show InChI InChI=1S/C33H33N3O6S/c37-33(29-11-16-34-30-4-2-1-3-28(29)30)36-17-12-23(13-18-36)35-19-14-25(15-20-35)42-24-5-7-26(8-6-24)43(38,39)27-9-10-31-32(21-27)41-22-40-31/h1-11,16,21,23,25H,12-15,17-20,22H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/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))
BDBM50098078
PNG
(CHEMBL355510 | {4-[4-(Benzo[1,3]dioxole-5-sulfonyl...)
Show SMILES O=C(N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)c1cccc2cccnc12
Show InChI InChI=1S/C33H33N3O6S/c37-33(29-5-1-3-23-4-2-16-34-32(23)29)36-17-12-24(13-18-36)35-19-14-26(15-20-35)42-25-6-8-27(9-7-25)43(38,39)28-10-11-30-31(21-28)41-22-40-30/h1-11,16,21,24,26H,12-15,17-20,22H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/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