BindingDB logo
myBDB logout

null

SMILES: COc1ccc(CN\C(C)=N\c2ccc3C[C@@H](O)[C@H](NC(=O)c4ccc(Br)cc4)c3c2)cc1

InChI Key: InChIKey=FIKHVNSOWDWIAY-JWQCQUIFSA-N

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 = 50119629   
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 M1


(Homo sapiens (Human))		BDBM50119629
PNG
(CHEMBL3618443)
Show SMILES COc1ccc(CN\C(C)=N\c2ccc3C[C@@H](O)[C@H](NC(=O)c4ccc(Br)cc4)c3c2)cc1 |r|
Show InChI InChI=1S/C26H26BrN3O3/c1-16(28-15-17-3-11-22(33-2)12-4-17)29-21-10-7-19-13-24(31)25(23(19)14-21)30-26(32)18-5-8-20(27)9-6-18/h3-12,14,24-25,31H,13,15H2,1-2H3,(H,28,29)(H,30,32)/t24-,25-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 837n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay

Bioorg Med Chem Lett 25: 4158-63 (2015)


BindingDB Entry DOI: 10.7270/Q2GM8938
More data for this
Ligand-Target Pair