BDBM50378083 Atrovent HFA::IPRATROPIUM BROMIDE

SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1

InChI Key InChIKey=OEXHQOGQTVQTAT-UHFFFAOYSA-N

Data  3 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

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 6 hits for monomerid = 50378083   

TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Rhône-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM50378083(Atrovent HFA | IPRATROPIUM BROMIDE)
Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1
Affinity DataKi:  0.830nMAssay Description:Binding affinity to muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Rhône-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM50378083(Atrovent HFA | IPRATROPIUM BROMIDE)
Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1
Affinity DataKi:  1.02nMAssay Description:Binding affinity to muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Rhône-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM50378083(Atrovent HFA | IPRATROPIUM BROMIDE)
Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1
Affinity DataKi:  1.51nMAssay Description:Binding affinity to muscarinic M1 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Rhône-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM50378083(Atrovent HFA | IPRATROPIUM BROMIDE)
Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1
Affinity DataIC50: 2.24nMAssay Description:Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHOK1 cells by microplate scintillation countingMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Rhône-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM50378083(Atrovent HFA | IPRATROPIUM BROMIDE)
Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1
Affinity DataIC50: 2.07nMAssay Description:Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHOK1 cells by microplate scintillation countingMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Rhône-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM50378083(Atrovent HFA | IPRATROPIUM BROMIDE)
Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1
Affinity DataIC50: 2.65nMAssay Description:Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation countingMore data for this Ligand-Target Pair