BDBM50151214 CHEMBL2368390::difluoro(2-{[(2Z)-1-methyl-5-[2-({20-[4-(2-oxo-2-{10-oxo-2,4,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}ethyl)piperazin-1-yl]-3,6,9,12,15,18-hexaoxaicosan-1-yl}carbamoyl)ethyl]-2H-pyrrol-1-ium-2-ylidene]methyl}-5-(thiophen-2-yl)-1H-pyrrol-1-yl)boranuide

SMILES O=C(CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCOCCOCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1

InChI Key InChIKey=CZDCMZJBXDHSIG-UHFFFAOYSA-N

Data  1 KI  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50151214   

TargetMuscarinic acetylcholine receptor M1(Human)
Umr Cnrs/Ulp 7081

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50151214BDBM50151214(difluoro(2-{[(2Z)-1-methyl-5-[2-({20-[4-(2-oxo-2-{...)
Affinity DataKd:  22nMAssay Description:Apparent dissociation constant for human muscarinic receptor M1 from FRET based binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
Umr Cnrs/Ulp 7081

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50151214BDBM50151214(difluoro(2-{[(2Z)-1-methyl-5-[2-({20-[4-(2-oxo-2-{...)
Affinity DataKi:  45nMAssay Description:Inhibition of [3H]QNB binding to human muscarinic receptor M1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed