BDBM50151216 CHEMBL2368391::difluoro(2-{[(2Z)-1-methyl-5-{2-[(5-{[5-({4-[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]butyl}carbamoyl)pentyl]carbamoyl}pentyl)carbamoyl]ethyl}-2H-pyrrol-1-ium-2-ylidene]methyl}-5-(thiophen-2-yl)-1H-pyrrol-1-yl)boranuide

SMILES O=C(CCCCCNC(=O)CCC1=[N+]2C(=Cc3ccc(-c4cccs4)n3[B-]2(F)F)C=C1)NCCCCCC(=O)NCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1

InChI Key InChIKey=RXRSADPAEPENRI-UHFFFAOYSA-N

Data  1 KI  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50151216   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50151216BDBM50151216(difluoro(2-{[(2Z)-1-methyl-5-{2-[(5-{[5-({4-[4-(2-...)
Affinity DataKd:  13nMAssay 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 50151216BDBM50151216(difluoro(2-{[(2Z)-1-methyl-5-{2-[(5-{[5-({4-[4-(2-...)
Affinity DataKi:  55nMAssay 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