BindingDB logo
myBDB logout

BDBM162484 US9687478, 100

SMILES: OC1(C2C=CC=CC2C2C=CC=CC12)C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2

InChI Key: InChIKey=KCTQYROKBUGSDT-VTQNUDRWSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 162484   
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 M3


(Homo sapiens (Human))		BDBM162484
PNG
(US9687478, 100)
Show SMILES OC1(C2C=CC=CC2C2C=CC=CC12)C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2 |wU:17.19,c:3,5,10,12,(2.86,2.67,;2.78,4.21,;4.19,3.58,;4.67,2.11,;6.17,1.79,;7.2,2.94,;6.73,4.4,;5.22,4.72,;4.45,6.06,;4.93,7.52,;3.9,8.67,;2.39,8.35,;1.91,6.88,;2.94,5.74,;1.45,3.44,;1.45,1.9,;.11,4.21,;-1.22,3.44,;-1.22,1.9,;-2.55,1.13,;-2.55,-.41,;-3.89,-1.18,;-3.89,-2.72,;-5.22,-3.49,;-5.22,-5.04,;-3.89,-5.81,;-2.55,-5.04,;-2.55,-3.49,;-3.19,2.09,;-3.19,3.24,;-2.55,4.21,;-3.89,3.44,;-3.89,1.9,)|
Show InChI InChI=1S/C29H34NO3/c31-28(29(32)25-12-6-4-10-23(25)24-11-5-7-13-26(24)29)33-27-20-30(18-15-22(27)16-19-30)17-14-21-8-2-1-3-9-21/h1-13,22-27,32H,14-20H2/q+1/t22?,23?,24?,25?,26?,27-,29?,30?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.60n/an/an/an/an/a25



ALMIRALL, S.A.

US Patent


Assay Description
Assays were carried out at 25° C. Membrane preparations from stably transfected chinese hamster ovary-K1 cells (CHO) expressing the genes for the...

US Patent US9687478 (2017)


BindingDB Entry DOI: 10.7270/Q2RV0KV9
More data for this
Ligand-Target Pair