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SMILES: CN1CCN(C[C@@H]2[C@@H](Sc3ccccc3NC2=O)c2ccccc2)CC1

InChI Key: InChIKey=YGOYABDTPZVXLE-XLIONFOSSA-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 5 hits for monomerid = 82379   
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 M1


(RAT)
BDBM82379
PNG
(BTM 1042 hydrochloride | BTM1086 | CAS_87687-13-6)
Show SMILES CN1CCN(C[C@@H]2[C@@H](Sc3ccccc3NC2=O)c2ccccc2)CC1
Show InChI InChI=1S/C21H25N3OS/c1-23-11-13-24(14-12-23)15-17-20(16-7-3-2-4-8-16)26-19-10-6-5-9-18(19)22-21(17)25/h2-10,17,20H,11-15H2,1H3,(H,22,25)/t17-,20+/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM82379
PNG
(BTM 1042 hydrochloride | BTM1086 | CAS_87687-13-6)
Show SMILES CN1CCN(C[C@@H]2[C@@H](Sc3ccccc3NC2=O)c2ccccc2)CC1
Show InChI InChI=1S/C21H25N3OS/c1-23-11-13-24(14-12-23)15-17-20(16-7-3-2-4-8-16)26-19-10-6-5-9-18(19)22-21(17)25/h2-10,17,20H,11-15H2,1H3,(H,22,25)/t17-,20+/m1/s1
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4.90n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Chick)
BDBM82379
PNG
(BTM 1042 hydrochloride | BTM1086 | CAS_87687-13-6)
Show SMILES CN1CCN(C[C@@H]2[C@@H](Sc3ccccc3NC2=O)c2ccccc2)CC1
Show InChI InChI=1S/C21H25N3OS/c1-23-11-13-24(14-12-23)15-17-20(16-7-3-2-4-8-16)26-19-10-6-5-9-18(19)22-21(17)25/h2-10,17,20H,11-15H2,1H3,(H,22,25)/t17-,20+/m1/s1
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2.04n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RABBIT)
BDBM82379
PNG
(BTM 1042 hydrochloride | BTM1086 | CAS_87687-13-6)
Show SMILES CN1CCN(C[C@@H]2[C@@H](Sc3ccccc3NC2=O)c2ccccc2)CC1
Show InChI InChI=1S/C21H25N3OS/c1-23-11-13-24(14-12-23)15-17-20(16-7-3-2-4-8-16)26-19-10-6-5-9-18(19)22-21(17)25/h2-10,17,20H,11-15H2,1H3,(H,22,25)/t17-,20+/m1/s1
PDB

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1n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM82379
PNG
(BTM 1042 hydrochloride | BTM1086 | CAS_87687-13-6)
Show SMILES CN1CCN(C[C@@H]2[C@@H](Sc3ccccc3NC2=O)c2ccccc2)CC1
Show InChI InChI=1S/C21H25N3OS/c1-23-11-13-24(14-12-23)15-17-20(16-7-3-2-4-8-16)26-19-10-6-5-9-18(19)22-21(17)25/h2-10,17,20H,11-15H2,1H3,(H,22,25)/t17-,20+/m1/s1
PDB

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MCE
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PC sid
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PubMed
0.870n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Mol Pharmacol 38: 805-15 (1990)


BindingDB Entry DOI: 10.7270/Q2H993P0
More data for this
Ligand-Target Pair