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BDBM384546 2-(7-((5-cyclopropyl-3-(2,6- dichlorophenyl)isoxazol-4- yl)methoxy)-9-hydroxy-3- oxabicyclo[3.3.1]nonan-9- yl)benzo[d]thiazole-6- carboxylic acid::US9932332, 2

SMILES: OC(=O)c1ccc2nc(sc2c1)C1(O)C2COCC1CC(C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1

InChI Key: InChIKey=JFZJPJANFXWASF-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 384546   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
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)


BindingDB Entry DOI: 10.7270/Q2X92DMW
More data for this
Ligand-Target Pair