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SMILES: OC(=O)c1cc(OC(F)(F)F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1C1CCCCC1)C1CC1

InChI Key: InChIKey=UXGHAZJZICCIQA-CMKODMSKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465402   
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))
BDBM465402
PNG
(US10793568, Compound I-21)
Show SMILES OC(=O)c1cc(OC(F)(F)F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1C1CCCCC1)C1CC1 |THB:13:17:23.22:20,24:23:18.17:20|
Show InChI InChI=1S/C28H30F3N3O5S/c29-28(30,31)38-21-9-16(26(35)36)10-22-24(21)32-27(40-22)34-12-17-8-18(34)11-20(17)37-13-19-23(14-4-2-1-3-5-14)33-39-25(19)15-6-7-15/h9-10,14-15,17-18,20H,1-8,11-13H2,(H,35,36)/t17-,18-,20+/m0/s1
PDB
MMDB

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PC cid
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US Patent
n/an/an/an/a 100n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)


BindingDB Entry DOI: 10.7270/Q21C20Z1
More data for this
Ligand-Target Pair