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8 similar compounds to monomer 50160434

Compile data set for download or QSAR
Wt: 378.4
BDBM50008029
Purchase
Wt: 392.4
BDBM50009857
Wt: 392.4
BDBM50009863
Wt: 377.4
BDBM50009869
Wt: 408.4
BDBM50032541
Wt: 428.5
BDBM50032582
Wt: 392.4
BDBM50032591
Wt: 392.4
BDBM50032617

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50008029,50009857,50009863,50009869,50032541,50032582,50032591,50032617   
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
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50032541
PNG
(CHEMBL310751 | [6-Methoxy-2-methyl-1-(2-morpholin-...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(OC)ccc12
Show InChI InChI=1S/C24H28N2O4/c1-17-23(24(27)18-4-6-19(28-2)7-5-18)21-9-8-20(29-3)16-22(21)26(17)11-10-25-12-14-30-15-13-25/h4-9,16H,10-15H2,1-3H3
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n/an/a 1.45E+3n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50008029
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-e...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in mouse vas deferens


J Med Chem 34: 1099-110 (1991)


Article DOI: 10.1021/jm00107a034
BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50032591
PNG
(CHEMBL310538 | [2,7-Dimethyl-1-(2-morpholin-4-yl-e...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2c(C)cccc12
Show InChI InChI=1S/C24H28N2O3/c1-17-5-4-6-21-22(24(27)19-7-9-20(28-3)10-8-19)18(2)26(23(17)21)12-11-25-13-15-29-16-14-25/h4-10H,11-16H2,1-3H3
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n/an/a 1.53E+3n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50032617
PNG
(CHEMBL310539 | [2,6-Dimethyl-1-(2-morpholin-4-yl-e...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2cc(C)ccc12
Show InChI InChI=1S/C24H28N2O3/c1-17-4-9-21-22(16-17)26(11-10-25-12-14-29-15-13-25)18(2)23(21)24(27)19-5-7-20(28-3)8-6-19/h4-9,16H,10-15H2,1-3H3
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n/an/a 1.88E+3n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50008029
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-e...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3
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n/an/a 3.16E+3n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50008029
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-e...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3
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n/an/a 3.16E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 (KDR)


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KD213J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50008029
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-e...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3
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n/an/a 453n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor (unknown origin)


Eur J Med Chem 43: 513-39 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.007
BindingDB Entry DOI: 10.7270/Q2G73DGR
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50008029
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-e...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against prostaglandin synthetase in mouse brain microsomes


Bioorg Med Chem Lett 5: 381-386 (1995)


Article DOI: 10.1016/0960-894X(95)00040-Z
BindingDB Entry DOI: 10.7270/Q2571BZN
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009857
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(1-methyl-2-morphol...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(C(C)CN2CCOCC2)c2ccccc12
Show InChI InChI=1/C24H28N2O3/c1-17(16-25-12-14-29-15-13-25)26-18(2)23(21-6-4-5-7-22(21)26)24(27)19-8-10-20(28-3)11-9-19/h4-11,17H,12-16H2,1-3H3
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n/an/a 900n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


Article DOI: 10.1021/jm00107a034
BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50008029
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-e...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


Article DOI: 10.1021/jm00107a034
BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009863
PNG
(CHEMBL273372 | [2-Ethyl-1-(2-morpholin-4-yl-ethyl)...)
Show SMILES CCc1c(C(=O)c2ccc(OC)cc2)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C24H28N2O3/c1-3-21-23(24(27)18-8-10-19(28-2)11-9-18)20-6-4-5-7-22(20)26(21)13-12-25-14-16-29-17-15-25/h4-11H,3,12-17H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


Article DOI: 10.1021/jm00107a034
BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Prostaglandin-H2 D-isomerase


(Mus musculus)
BDBM50009869
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(2-piperazin-1-yl-e...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCNCC2)c2ccccc12
Show InChI InChI=1S/C23H27N3O2/c1-17-22(23(27)18-7-9-19(28-2)10-8-18)20-5-3-4-6-21(20)26(17)16-15-25-13-11-24-12-14-25/h3-10,24H,11-16H2,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes


J Med Chem 34: 1099-110 (1991)


Article DOI: 10.1021/jm00107a034
BindingDB Entry DOI: 10.7270/Q24M955S
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50008029
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-e...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3
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n/an/a 3.16E+3n/an/an/an/an/an/a



Sterling Research Group

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of 0.5 nM [3H](aminoalkyl)indole binding to cannabinoid receptor in rat cerebellum membranes


J Med Chem 35: 124-35 (1992)


Article DOI: 10.1021/jm00079a016
BindingDB Entry DOI: 10.7270/Q2SF2ZDZ
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50008029
PNG
((4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-e...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3
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n/an/a 3.16E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 0.5 nM [3H](R)-(+)-WIN-55212-2 from Cannabinoid receptor of rat cerebellar membranes


Bioorg Med Chem Lett 5: 381-386 (1995)


Article DOI: 10.1016/0960-894X(95)00040-Z
BindingDB Entry DOI: 10.7270/Q2571BZN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50032582
PNG
((4-Methoxy-naphthalen-1-yl)-[2-methyl-1-(2-morphol...)
Show SMILES COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H28N2O3/c1-19-26(27(30)22-11-12-25(31-2)21-8-4-3-7-20(21)22)23-9-5-6-10-24(23)29(19)14-13-28-15-17-32-18-16-28/h3-12H,13-18H2,1-2H3
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n/an/a 55n/an/an/an/an/an/a



Sanofi Research Division

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit 50% of [3H]-WIN- 55212 binding to Cannabinoid receptor 1 in rat cerebellum membranes.


J Med Chem 38: 3094-105 (1995)


Article DOI: 10.1021/jm00016a013
BindingDB Entry DOI: 10.7270/Q2DN442Z
More data for this
Ligand-Target Pair