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3 similar compounds to monomer 50110529

Compile data set for download or QSAR
Wt: 563.7
BDBM50110527
Wt: 577.7
BDBM50110528
Wt: 611.7
BDBM50110531

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50110527,50110528,50110531   
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))
BDBM50110528
PNG
(1-{1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-eth...)
Show SMILES CCCS(=O)(=O)N1CCC(CC1)N1CCN([C@@H](C)c2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)[C@H](C)C1
Show InChI InChI=1S/C28H39N3O6S2/c1-4-17-38(32,33)30-13-11-24(12-14-30)29-15-16-31(21(2)19-29)22(3)23-5-7-25(8-6-23)39(34,35)26-9-10-27-28(18-26)37-20-36-27/h5-10,18,21-22,24H,4,11-17,19-20H2,1-3H3/t21-,22+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Muscarinic acetylcholine receptor M2.


Bioorg Med Chem Lett 12: 791-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00023-9
BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110527
PNG
((R)-1-{(S)-1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phe...)
Show SMILES CCS(=O)(=O)N1CCC(CC1)N1CCN([C@@H](C)c2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)[C@H](C)C1
Show InChI InChI=1S/C27H37N3O6S2/c1-4-37(31,32)29-13-11-23(12-14-29)28-15-16-30(20(2)18-28)21(3)22-5-7-24(8-6-22)38(33,34)25-9-10-26-27(17-25)36-19-35-26/h5-10,17,20-21,23H,4,11-16,18-19H2,1-3H3/t20-,21+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Muscarinic acetylcholine receptor M2.


Bioorg Med Chem Lett 12: 791-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00023-9
BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50110531
PNG
(4-(1-Benzenesulfonyl-piperidin-4-yl)-1-{1-[4-(benz...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)S(=O)(=O)c1ccccc1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H37N3O6S2/c1-23-21-32(26-14-16-33(17-15-26)42(37,38)28-6-4-3-5-7-28)18-19-34(23)24(2)25-8-10-27(11-9-25)41(35,36)29-12-13-30-31(20-29)40-22-39-30/h3-13,20,23-24,26H,14-19,21-22H2,1-2H3/t23-,24+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Muscarinic acetylcholine receptor M2.


Bioorg Med Chem Lett 12: 791-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00023-9
BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair