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Compile Data Set for Download or QSAR

Found 7 hits from Elmore Patent Law Group, P.C.   
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
Bile acid receptor


(Homo sapiens (human))
BDBM21674
PNG
((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihyd...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
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Patents


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US Patent
n/an/an/an/a>1.00E+4n/an/an/an/a



Elmore Patent Law Group, P.C.

US Patent


Assay Description
Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit...


US Patent US10149835 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bile acid receptor


(Homo sapiens (human))
BDBM306710
PNG
(US10149835, Example 1)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1ccc2nc(sc2c1)N1C2CC[C@H]1C[C@@H](C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C30H31Cl2N5O5S2/c1-36(2)44(39,40)35-29(38)17-8-11-24-25(12-17)43-30(33-24)37-18-9-10-19(37)14-20(13-18)41-15-21-27(34-42-28(21)16-6-7-16)26-22(31)4-3-5-23(26)32/h3-5,8,11-12,16,18-20H,6-7,9-10,13-15H2,1-2H3,(H,35,38)/t18-,19?,20-/m0/s1
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US Patent
n/an/an/an/a<100n/an/an/an/a



Elmore Patent Law Group, P.C.

US Patent


Assay Description
Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit...


US Patent US10149835 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM306711
PNG
(US10149835, Example 2)
Show SMILES Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC1CC2CC[C@@H](C1)N2c1nc2ccc(cc2s1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C31H30Cl2N4O5S2/c32-23-2-1-3-24(33)27(23)28-22(29(42-35-28)16-4-5-16)15-41-20-13-18-7-8-19(14-20)37(18)31-34-25-11-6-17(12-26(25)43-31)30(38)36-44(39,40)21-9-10-21/h1-3,6,11-12,16,18-21H,4-5,7-10,13-15H2,(H,36,38)/t18-,19?,20?/m0/s1
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n/an/an/an/a<100n/an/an/an/a



Elmore Patent Law Group, P.C.

US Patent


Assay Description
Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit...


US Patent US10149835 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM306715
PNG
(US10149835, Example 6)
Show SMILES Fc1cc(ccc1N1C2CC[C@H]1CC(C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C30H30Cl2FN3O5S/c31-23-2-1-3-24(32)27(23)28-22(29(41-34-28)16-4-5-16)15-40-20-13-18-7-8-19(14-20)36(18)26-11-6-17(12-25(26)33)30(37)35-42(38,39)21-9-10-21/h1-3,6,11-12,16,18-21H,4-5,7-10,13-15H2,(H,35,37)/t18-,19?,20?/m0/s1
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n/an/an/an/a<100n/an/an/an/a



Elmore Patent Law Group, P.C.

US Patent


Assay Description
Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit...


US Patent US10149835 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM306713
PNG
(US10149835, Example 4)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1ccc(N2C3CC[C@H]2CC(C3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1
Show InChI InChI=1S/C29H31Cl2FN4O5S/c1-35(2)42(38,39)34-29(37)17-8-11-25(24(32)12-17)36-18-9-10-19(36)14-20(13-18)40-15-21-27(33-41-28(21)16-6-7-16)26-22(30)4-3-5-23(26)31/h3-5,8,11-12,16,18-20H,6-7,9-10,13-15H2,1-2H3,(H,34,37)/t18-,19?,20?/m0/s1
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n/an/an/an/a<100n/an/an/an/a



Elmore Patent Law Group, P.C.

US Patent


Assay Description
Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit...


US Patent US10149835 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM306714
PNG
(US10149835, Example 5)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(N2C3CC[C@H]2CC(C3)OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1
Show InChI InChI=1S/C37H38Cl2FN3O5S/c1-37(2,3)23-10-14-27(15-11-23)49(45,46)42-36(44)22-9-16-32(31(40)17-22)43-24-12-13-25(43)19-26(18-24)47-20-28-34(41-48-35(28)21-7-8-21)33-29(38)5-4-6-30(33)39/h4-6,9-11,14-17,21,24-26H,7-8,12-13,18-20H2,1-3H3,(H,42,44)/t24-,25?,26?/m0/s1
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n/an/an/an/a<100n/an/an/an/a



Elmore Patent Law Group, P.C.

US Patent


Assay Description
Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit...


US Patent US10149835 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (human))
BDBM306712
PNG
(US10149835, Example 3)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NC(=O)c1ccc2nc(sc2c1)N1C2CC[C@H]1CC(C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C38H38Cl2N4O5S2/c1-38(2,3)23-10-14-27(15-11-23)51(46,47)43-36(45)22-9-16-31-32(17-22)50-37(41-31)44-24-12-13-25(44)19-26(18-24)48-20-28-34(42-49-35(28)21-7-8-21)33-29(39)5-4-6-30(33)40/h4-6,9-11,14-17,21,24-26H,7-8,12-13,18-20H2,1-3H3,(H,43,45)/t24-,25?,26?/m0/s1
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n/an/an/an/a<100n/an/an/an/a



Elmore Patent Law Group, P.C.

US Patent


Assay Description
Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit...


US Patent US10149835 (2018)

More data for this
Ligand-Target Pair