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Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'marotta' and Initial = 'p'   
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
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50061117
PNG
(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...)
Show SMILES CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
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n/an/a 210n/an/an/an/an/an/a



University of Eastern Piedmont

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium level incubated...


J Nat Prod 81: 630-633 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00946
BindingDB Entry DOI: 10.7270/Q26D5WJF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50285610
PNG
(CBV | CHEMBL4170268)
Show SMILES CCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3
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n/an/a 500n/an/an/an/an/an/a



University of Eastern Piedmont

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium level incubated...


J Nat Prod 81: 630-633 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00946
BindingDB Entry DOI: 10.7270/Q26D5WJF
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50061117
PNG
(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...)
Show SMILES CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
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n/an/an/an/a 73n/an/an/an/a



University of Eastern Piedmont

Curated by ChEMBL


Assay Description
Displacement of 3H-CP-55940 from recombinant full length human CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount scintillatio...


J Nat Prod 81: 630-633 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00946
BindingDB Entry DOI: 10.7270/Q26D5WJF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50061117
PNG
(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...)
Show SMILES CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
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n/an/an/an/a 1.61E+4n/an/an/an/a



University of Eastern Piedmont

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo4-AM probe based fluor...


J Nat Prod 81: 630-633 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00946
BindingDB Entry DOI: 10.7270/Q26D5WJF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50285610
PNG
(CBV | CHEMBL4170268)
Show SMILES CCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3
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n/an/an/an/a 7.30E+3n/an/an/an/a



University of Eastern Piedmont

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo4-AM probe based fluor...


J Nat Prod 81: 630-633 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00946
BindingDB Entry DOI: 10.7270/Q26D5WJF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel, subfamily V, member 3


(Rattus norvegicus)
BDBM50285610
PNG
(CBV | CHEMBL4170268)
Show SMILES CCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3
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n/an/an/an/a 3.50E+3n/an/an/an/a



University of Eastern Piedmont

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat TRPV3 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo4-AM probe based fluor...


J Nat Prod 81: 630-633 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00946
BindingDB Entry DOI: 10.7270/Q26D5WJF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50061117
PNG
(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...)
Show SMILES CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
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n/an/an/an/a 75n/an/an/an/a



University of Eastern Piedmont

Curated by ChEMBL


Assay Description
Displacement of 3H-CP-55940 from recombinant full length human CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount scintillatio...


J Nat Prod 81: 630-633 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00946
BindingDB Entry DOI: 10.7270/Q26D5WJF
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50285610
PNG
(CBV | CHEMBL4170268)
Show SMILES CCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3
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n/an/an/an/a 4.78E+3n/an/an/an/a



University of Eastern Piedmont

Curated by ChEMBL


Assay Description
Displacement of 3H-CP-55940 from recombinant full length human CB2 receptor expressed in HEK293 cell membranes after 90 mins by topcount scintillatio...


J Nat Prod 81: 630-633 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00946
BindingDB Entry DOI: 10.7270/Q26D5WJF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50285610
PNG
(CBV | CHEMBL4170268)
Show SMILES CCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3
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n/an/an/an/a 200n/an/an/an/a



University of Eastern Piedmont

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat TRPA1 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo4-AM probe based fluor...


J Nat Prod 81: 630-633 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00946
BindingDB Entry DOI: 10.7270/Q26D5WJF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)
BDBM50285610
PNG
(CBV | CHEMBL4170268)
Show SMILES CCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3
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n/an/an/an/a 3.10E+3n/an/an/an/a



University of Eastern Piedmont

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo4-AM probe based fluor...


J Nat Prod 81: 630-633 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00946
BindingDB Entry DOI: 10.7270/Q26D5WJF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50061117
PNG
(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...)
Show SMILES CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
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n/an/an/an/a 6.20E+3n/an/an/an/a



University of Eastern Piedmont

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo4-AM probe based fluorescence as...


J Nat Prod 81: 630-633 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00946
BindingDB Entry DOI: 10.7270/Q26D5WJF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50061117
PNG
(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...)
Show SMILES CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
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n/an/an/an/a 180n/an/an/an/a



University of Eastern Piedmont

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat TRPA1 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo4-AM probe based fluor...


J Nat Prod 81: 630-633 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00946
BindingDB Entry DOI: 10.7270/Q26D5WJF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel, subfamily V, member 3


(Rattus norvegicus)
BDBM50061117
PNG
(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...)
Show SMILES CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
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n/an/an/an/a 5.30E+3n/an/an/an/a



University of Eastern Piedmont

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat TRPV3 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo4-AM probe based fluor...


J Nat Prod 81: 630-633 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00946
BindingDB Entry DOI: 10.7270/Q26D5WJF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50285610
PNG
(CBV | CHEMBL4170268)
Show SMILES CCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3
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n/an/an/an/a 6.60E+3n/an/an/an/a



University of Eastern Piedmont

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo4-AM probe based fluorescence as...


J Nat Prod 81: 630-633 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00946
BindingDB Entry DOI: 10.7270/Q26D5WJF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)
BDBM50061117
PNG
(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...)
Show SMILES CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
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n/an/an/an/a 1.90E+4n/an/an/an/a



University of Eastern Piedmont

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as increase in intracellular calcium level by Fluo4-AM probe based fluor...


J Nat Prod 81: 630-633 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00946
BindingDB Entry DOI: 10.7270/Q26D5WJF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50285610
PNG
(CBV | CHEMBL4170268)
Show SMILES CCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3
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n/an/an/an/a 565n/an/an/an/a



University of Eastern Piedmont

Curated by ChEMBL


Assay Description
Displacement of 3H-CP-55940 from recombinant full length human CB1 receptor expressed in HEK293 cell membranes after 90 mins by topcount scintillatio...


J Nat Prod 81: 630-633 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00946
BindingDB Entry DOI: 10.7270/Q26D5WJF
More data for this
Ligand-Target Pair