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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'cryan' and Initial = 'je'   
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 V member 1


(Homo sapiens (Human))
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
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n/an/a 9n/an/an/an/a5.3n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by whole cell patch clamp a...


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
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n/an/a 40n/an/an/an/a5.3n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
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n/an/a 49n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium influx by whole cell patch clamp ass...


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Cavia porcellus)
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
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n/an/a 63n/an/an/an/a5.3n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at guinea pig TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50263384
PNG
(6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazo...)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(nc3C)-c3ccc(F)cc3)ccc2s1
Show InChI InChI=1S/C21H16FN3OS/c1-12-17(8-9-18(23-12)14-3-5-15(22)6-4-14)21(26)25-16-7-10-20-19(11-16)24-13(2)27-20/h3-11H,1-2H3,(H,25,26)
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n/an/a 100n/an/an/an/a5.3n/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of pH 5.3 acid-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50263425
PNG
(6-(4-fluorophenyl)-2-methyl-N-(quinolin-7-yl)nicot...)
Show SMILES Cc1nc(ccc1C(=O)Nc1ccc2cccnc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H16FN3O/c1-14-19(10-11-20(25-14)16-4-7-17(23)8-5-16)22(27)26-18-9-6-15-3-2-12-24-21(15)13-18/h2-13H,1H3,(H,26,27)
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5609-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.105
BindingDB Entry DOI: 10.7270/Q2PZ58PN
More data for this
Ligand-Target Pair