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BDBM50111324 CHEMBL12542::[4-(4-Isopropylsulfanyl-benzyl)-[1,4']bipiperidinyl-1'-yl]-isoquinolin-1-yl-methanone

SMILES: CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2nccc3ccccc23)cc1

InChI Key: InChIKey=OPYWULFXLGGQLW-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111324   
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))
BDBM50111324
PNG
(CHEMBL12542 | [4-(4-Isopropylsulfanyl-benzyl)-[1,4...)
Show SMILES CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2nccc3ccccc23)cc1
Show InChI InChI=1S/C30H37N3OS/c1-22(2)35-27-9-7-23(8-10-27)21-24-12-17-32(18-13-24)26-14-19-33(20-15-26)30(34)29-28-6-4-3-5-25(28)11-16-31-29/h3-11,16,22,24,26H,12-15,17-21H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 12: 1087-91 (2002)


Article DOI: 10.1016/s0960-894x(02)00096-3
BindingDB Entry DOI: 10.7270/Q2MS3S2P
More data for this
Ligand-Target Pair