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BDBM50110543 CHEMBL167396::[4-((R)-4-{(S)-1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-ethyl}-3-methyl-piperazin-1-yl)-piperidin-1-yl]-(2-phenoxy-phenyl)-methanone

SMILES: C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1Oc1ccccc1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1

InChI Key: InChIKey=KZZDDXGFZSMMEJ-IZLXSDGUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110543   
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))
BDBM50110543
PNG
(CHEMBL167396 | [4-((R)-4-{(S)-1-[4-(Benzo[1,3]diox...)
Show SMILES C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1Oc1ccccc1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C38H41N3O6S/c1-27-25-40(30-18-20-39(21-19-30)38(42)34-10-6-7-11-35(34)47-31-8-4-3-5-9-31)22-23-41(27)28(2)29-12-14-32(15-13-29)48(43,44)33-16-17-36-37(24-33)46-26-45-36/h3-17,24,27-28,30H,18-23,25-26H2,1-2H3/t27-,28+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 using [3H]-N-methylscopolamine as radioligand


Bioorg Med Chem Lett 12: 795-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00024-0
BindingDB Entry DOI: 10.7270/Q2QR4WG8
More data for this
Ligand-Target Pair