BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 6319   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM123054
PNG
(US8742134, (1))
Show SMILES C[C@@](C1CCCC1)(C(=O)O[C@@H]1CC2CCC1[N+]2(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C22H32NO2/c1-22(17-11-7-8-12-17,16-9-5-4-6-10-16)21(24)25-20-15-18-13-14-19(20)23(18,2)3/h4-6,9-10,17-20H,7-8,11-15H2,1-3H3/q+1/t18?,19?,20-,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.160 -55.3 0.230n/an/an/an/an/a22



Theron Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ...


US Patent US8742134 (2014)


BindingDB Entry DOI: 10.7270/Q20000SX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM123055
PNG
(US8742134, (2) | US8742134, (7))
Show SMILES C[N+]1(C)C2CCC1[C@@H](C2)OC(=O)[C@](O)(C1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1/t17?,18?,19-,21-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.180 -55.1 0.25n/an/an/an/an/a22



Theron Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ...


US Patent US8742134 (2014)


BindingDB Entry DOI: 10.7270/Q20000SX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM123056
PNG
(US8742134, (3) | US8742134, (8))
Show SMILES C[N+]1(C)C2CCC1[C@H](C2)OC(=O)[C@](O)(C1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1/t17?,18?,19-,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.180 -55.1 0.25n/an/an/an/an/a22



Theron Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ...


US Patent US8742134 (2014)


BindingDB Entry DOI: 10.7270/Q20000SX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM123057
PNG
(US8742134, (4) | US8742134, (5) | US8742134, (6))
Show SMILES C[N+]1(C)C2CCC1[C@H](C2)OC(=O)[C@@](O)(C1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1/t17?,18?,19-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.220 -54.6 0.300n/an/an/an/an/a22



Theron Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ...


US Patent US8742134 (2014)


BindingDB Entry DOI: 10.7270/Q20000SX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM123057
PNG
(US8742134, (4) | US8742134, (5) | US8742134, (6))
Show SMILES C[N+]1(C)C2CCC1[C@H](C2)OC(=O)[C@@](O)(C1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1/t17?,18?,19-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.5 -49.9 2.10n/an/an/an/an/a22



Theron Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ...


US Patent US8742134 (2014)


BindingDB Entry DOI: 10.7270/Q20000SX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM123057
PNG
(US8742134, (4) | US8742134, (5) | US8742134, (6))
Show SMILES C[N+]1(C)C2CCC1[C@H](C2)OC(=O)[C@@](O)(C1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1/t17?,18?,19-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
2.10 -49.0 2.90n/an/an/an/an/a22



Theron Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ...


US Patent US8742134 (2014)


BindingDB Entry DOI: 10.7270/Q20000SX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM123055
PNG
(US8742134, (2) | US8742134, (7))
Show SMILES C[N+]1(C)C2CCC1[C@@H](C2)OC(=O)[C@](O)(C1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1/t17?,18?,19-,21-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
14 -44.4 19n/an/an/an/an/a22



Theron Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ...


US Patent US8742134 (2014)


BindingDB Entry DOI: 10.7270/Q20000SX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM123056
PNG
(US8742134, (3) | US8742134, (8))
Show SMILES C[N+]1(C)C2CCC1[C@H](C2)OC(=O)[C@](O)(C1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1/t17?,18?,19-,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
26 -42.9 36n/an/an/an/an/a22



Theron Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ...


US Patent US8742134 (2014)


BindingDB Entry DOI: 10.7270/Q20000SX
More data for this
Ligand-Target Pair