BDBM103802 US8551978, I-72::US8816088, I-72::US9394275, I-72::US9572802, Compound I-72::US9682957, I-72

SMILES COc1ccc(CNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1CC(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12

InChI Key InChIKey=ASGGQRAVBINOEP-LYMXURKRSA-N

Data  5 KI  2 EC50

  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 7 hits for monomerid = 103802   

TargetMuscarinic acetylcholine receptor M3(Human)
Theravance

US Patent
LigandPNGBDBM103802(US8551978, I-72 | US8816088, I-72 | US9394275, I-7...)
Affinity DataKi:  0.400nMAssay Description:Radioligand binding assay using muscarinic receptors.More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetMuscarinic acetylcholine receptor M3(Human)
Theravance

US Patent
LigandPNGBDBM103802(US8551978, I-72 | US8816088, I-72 | US9394275, I-7...)
Affinity DataKi:  0.400nMAssay Description:Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 uL. CHO cell me...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetMuscarinic acetylcholine receptor M3(Human)
Theravance

US Patent
LigandPNGBDBM103802(US8551978, I-72 | US8816088, I-72 | US9394275, I-7...)
Affinity DataKi:  0.400nM ΔG°:  -13.3kcal/moleT: 37°CAssay Description:Displacement assays for determination of Ki values of test compounds were performed with [3H]-NMS at 1 nM and eleven different test compound concentr...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetMuscarinic acetylcholine receptor M3(Human)
Theravance

US Patent
LigandPNGBDBM103802(US8551978, I-72 | US8816088, I-72 | US9394275, I-7...)
Affinity DataKi:  0.400nMAssay Description:compounds were performed with [3H]NMS at 1 nM and eleven different test compound concentrations. The test compounds were initially dissolved to a con...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetMuscarinic acetylcholine receptor M3(Human)
Theravance

US Patent
LigandPNGBDBM103802(US8551978, I-72 | US8816088, I-72 | US9394275, I-7...)
Affinity DataKi:  0.400nMAssay Description:Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 μL. CHO ce...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBeta-2 adrenergic receptor(Human)
Theravance Respiratory

US Patent
LigandPNGBDBM103802(US8551978, I-72 | US8816088, I-72 | US9394275, I-7...)
Affinity DataEC50:  4nMT: 25°CAssay Description:cAMP assays were performed in a radioimmunoassay format using the Flashplate Adenylyl Cyclase Activation Assay System with [125I]-cAMP (NEN SMP004, P...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetBeta-2 adrenergic receptor(Human)
Theravance Respiratory

US Patent
LigandPNGBDBM103802(US8551978, I-72 | US8816088, I-72 | US9394275, I-7...)
Affinity DataEC50:  4nMT: 37°CAssay Description:cAMP assays were performed in a radioimmunoassay format using the Flashplate Adenylyl Cyclase Activation Assay System with [125I]-cAMP (NEN SMP004, P...More data for this Ligand-Target Pair
In DepthDetails US Patent