BDBM50021892 Ipratropium Bromide

SMILES [Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C(C)C

InChI Key InChIKey=LHLMOSXCXGLMMN-WDTICOSOSA-M

Data  3 KI  3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50021892   

TargetMuscarinic acetylcholine receptor M3(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021892(Ipratropium Bromide)
Show SMILES [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3.BrH/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;1H/q+1;/p-1/t16-,17+,18+,19?,21?;
Affinity DataKi:  0.180nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular glandMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021892(Ipratropium Bromide)
Show SMILES [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3.BrH/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;1H/q+1;/p-1/t16-,17+,18+,19?,21?;
Affinity DataKi:  0.290nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021892(Ipratropium Bromide)
Show SMILES [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3.BrH/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;1H/q+1;/p-1/t16-,17+,18+,19?,21?;
Affinity DataKi:  0.780nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heartMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Rhône-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM50021892(Ipratropium Bromide)
Show SMILES [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3.BrH/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;1H/q+1;/p-1/t16-,17+,18+,19?,21?;
Affinity DataIC50: 1.70nMAssay Description:Displacement of [3H]NMS from human M3 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting methodMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Rhône-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM50021892(Ipratropium Bromide)
Show SMILES [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3.BrH/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;1H/q+1;/p-1/t16-,17+,18+,19?,21?;
Affinity DataIC50: 2.90nMAssay Description:Displacement of [3H]NMS from human M1 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting methodMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Rhône-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM50021892(Ipratropium Bromide)
Show SMILES [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3.BrH/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;1H/q+1;/p-1/t16-,17+,18+,19?,21?;
Affinity DataIC50: 2nMAssay Description:Displacement of [3H]NMS from human M2 receptor expressed in CHOK1 cell membranes after 4 hrs by scintillation counting methodMore data for this Ligand-Target Pair