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SMILES: Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1

InChI Key: InChIKey=OBLWLENBNRYSCO-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50240533   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50240533
PNG
(CHEMBL4096143)
Show SMILES Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C25H25FN4O2/c26-21-7-3-4-8-22(21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-5-1-2-6-20(18)16-30/h1-8,15,17,19H,9-14,16H2
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n/an/a 130n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50240533
PNG
(CHEMBL4096143)
Show SMILES Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C25H25FN4O2/c26-21-7-3-4-8-22(21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-5-1-2-6-20(18)16-30/h1-8,15,17,19H,9-14,16H2
PDB

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antibodypedia
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PC cid
PC sid
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n/an/a 384n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human M2 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50240533
PNG
(CHEMBL4096143)
Show SMILES Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C25H25FN4O2/c26-21-7-3-4-8-22(21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-5-1-2-6-20(18)16-30/h1-8,15,17,19H,9-14,16H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 322n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human M1 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50240533
PNG
(CHEMBL4096143)
Show SMILES Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C25H25FN4O2/c26-21-7-3-4-8-22(21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-5-1-2-6-20(18)16-30/h1-8,15,17,19H,9-14,16H2
PDB

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n/an/a 123n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50240533
PNG
(CHEMBL4096143)
Show SMILES Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C25H25FN4O2/c26-21-7-3-4-8-22(21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-5-1-2-6-20(18)16-30/h1-8,15,17,19H,9-14,16H2
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PC sid
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n/an/a 732n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human M5 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50240533
PNG
(CHEMBL4096143)
Show SMILES Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C25H25FN4O2/c26-21-7-3-4-8-22(21)32-24-15-23(27-17-28-24)29-12-10-19(11-13-29)25(31)30-14-9-18-5-1-2-6-20(18)16-30/h1-8,15,17,19H,9-14,16H2
Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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n/an/a 404n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human M3 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 27: 2479-2483 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.009
BindingDB Entry DOI: 10.7270/Q2VT1V7H
More data for this
Ligand-Target Pair