BDBM50010096 CHEMBL12980::Hydroxy-diphenyl-acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester::Hydroxy-diphenyl-acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester(QNB)::Hydroxy-diphenyl-acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester(R)-(-)-(QNB)

SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1

InChI Key InChIKey=HGMITUYOCPPQLE-UHFFFAOYSA-N

Data  16 KI

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50010096   

TargetMuscarinic acetylcholine receptor M1/M2/M3/M4/M5(Human)
Uppsala University

Curated by ChEMBL

LigandBDBM50010096(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)Copy SMILESCopy InChI

Affinity DataKi:  0.0450nMAssay Description:Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
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TargetMuscarinic acetylcholine receptor M2(Human)
Uppsala University

Curated by ChEMBL

LigandBDBM50010096(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)Copy SMILESCopy InChI

Affinity DataKi:  0.0450nMAssay Description:Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heartMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
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In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetMuscarinic acetylcholine receptor M1/M2/M3/M4/M5(Human)
Uppsala University

Curated by ChEMBL

LigandBDBM50010096(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)Copy SMILESCopy InChI

Affinity DataKi:  0.0510nMAssay Description:Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaantibodypediaantibodypediaantibodypediaantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetMuscarinic acetylcholine receptor M1(Human)
Uppsala University

Curated by ChEMBL

LigandBDBM50010096(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)Copy SMILESCopy InChI

Affinity DataKi:  0.0510nMAssay Description:Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortexMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
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In DepthDetails ArticlePubMed
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TargetMuscarinic acetylcholine receptor M2(Rat)
National Institutes of Health

Curated by ChEMBL

LigandBDBM50010096(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)Copy SMILESCopy InChI

Affinity DataKi:  0.180nMAssay Description:In vitro binding affinity against rat heart membrane using [3H]-AF-DX-384More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
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In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetMuscarinic receptor M1(Bovine)
Nova Pharmaceutical

Curated by ChEMBL

LigandBDBM50010096(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)Copy SMILESCopy InChI

Affinity DataKi:  0.190nMAssay Description:Binding affinity against Muscarinic acetylcholine receptor M1 by displacement of [3H]pirenzepine in bovine striatumMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/TrEMBL
GoogleScholar

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TargetMuscarinic acetylcholine receptor M1/M2/M3/M4/M5(Human)
Uppsala University

Curated by ChEMBL

LigandBDBM50010096(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)Copy SMILESCopy InChI

Affinity DataKi:  0.200nMAssay Description:Affinity for Muscarinic acetylcholine receptors in urinary bladder from Guinea Pig by (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB displacement.More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
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In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetMuscarinic receptor M1(Bovine)
Nova Pharmaceutical

Curated by ChEMBL

LigandBDBM50010096(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)Copy SMILESCopy InChI

Affinity DataKi:  0.220nMAssay Description:In vitro binding affinity against bovine striatal membrane using [3H]-pirenzepineMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/TrEMBL
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Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetMuscarinic acetylcholine receptor M2(Rat)
National Institutes of Health

Curated by ChEMBL

LigandBDBM50010096(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)Copy SMILESCopy InChI

Affinity DataKi:  0.230nMAssay Description:Evaluated for the inhibition of adenylate cyclase at M2 receptor in rat heartMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetMuscarinic acetylcholine receptor(Guinea pig)
Uppsala University

Curated by ChEMBL

LigandBDBM50010096(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)Copy SMILESCopy InChI

Affinity DataKi:  0.240nMAssay Description:Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacement of [3H]-QNB from guinea pig parotid glandMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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In DepthDetails ArticlePubMed
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TargetMuscarinic acetylcholine receptor M1/M2/M3/M4/M5(Human)
Uppsala University

Curated by ChEMBL

LigandBDBM50010096(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)Copy SMILESCopy InChI

Affinity DataKi:  0.240nMAssay Description:Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the parotid gland from Guin...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaantibodypediaantibodypediaantibodypediaantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetMuscarinic acetylcholine receptor DM1(Fruit fly)
University of California

Curated by ChEMBL

LigandBDBM50010096(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)Copy SMILESCopy InChI

Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]AF-DX 384 from Drosophila melanogaster mAChR by scintillation countingMore data for this Ligand-Target Pair

Target InfoMMDBReactome pathwayKEGG
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TargetMuscarinic acetylcholine receptor DM1(Fruit fly)
University of California

Curated by ChEMBL

LigandBDBM50010096(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)Copy SMILESCopy InChI

Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]QNB from Drosophila melanogaster mAChR by scintillation countingMore data for this Ligand-Target Pair

Target InfoMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetMuscarinic acetylcholine receptor M2(Rat)
National Institutes of Health

Curated by ChEMBL

LigandBDBM50010096(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)Copy SMILESCopy InChI

Affinity DataKi:  2.20nMAssay Description:Evaluated for the inhibition of adenylate cyclase at M2 receptor in rat heartMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetMuscarinic acetylcholine receptor(Guinea pig)
Uppsala University

Curated by ChEMBL

LigandBDBM50010096(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)Copy SMILESCopy InChI

Affinity DataKi:  4.60nMAssay Description:In vitro binding affinity against against guinea pig ileum using [3H]-N-methylscopolamineMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetVesicular acetylcholine transporter(Rat)
Kanazawa University

Curated by ChEMBL

LigandBDBM50010096(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)Copy SMILESCopy InChI

Affinity DataKi:  582nMAssay Description:Displacement of [125I]O-iodo-trans-decalinvesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 1 hr by gamma countingMore data for this Ligand-Target Pair

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