BindingDB logo
myBDB logout

Patent code US9932332

Compile Data Set for Download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
Bile acid receptor


(Homo sapiens (Human))
BDBM384545
PNG
(2-(7-((5-cyclopropyl-3-(2,6- dichlorophenyl)isoxaz...)
Show SMILES OC(=O)c1cc(F)c2nc(sc2c1)C1(O)C2COCC1CC(C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C29H25Cl2FN2O6S/c30-19-2-1-3-20(31)23(19)24-18(26(40-34-24)13-4-5-13)12-39-17-8-15-10-38-11-16(9-17)29(15,37)28-33-25-21(32)6-14(27(35)36)7-22(25)41-28/h1-3,6-7,13,15-17,37H,4-5,8-12H2,(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
UniChem
US Patent
n/an/a 19n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
The human FXRalpha LBD was expressed in E. coli strain BL21(DE3) as an N-terminally GST tagged fusion protein. The DNA encoding the FXR ligand bindin...


US Patent US9932332 (2018)

More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM384546
PNG
(2-(7-((5-cyclopropyl-3-(2,6- dichlorophenyl)isoxaz...)
Show SMILES OC(=O)c1ccc2nc(sc2c1)C1(O)C2COCC1CC(C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1
Show InChI InChI=1S/C29H26Cl2N2O6S/c30-20-2-1-3-21(31)24(20)25-19(26(39-33-25)14-4-5-14)13-38-18-9-16-11-37-12-17(10-18)29(16,36)28-32-22-7-6-15(27(34)35)8-23(22)40-28/h1-3,6-8,14,16-18,36H,4-5,9-13H2,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
The human FXRalpha LBD was expressed in E. coli strain BL21(DE3) as an N-terminally GST tagged fusion protein. The DNA encoding the FXR ligand bindin...


US Patent US9932332 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%