BindingDB logo
myBDB logout

null

SMILES: OC(=O)c1cc(OC(F)(F)F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1ccccc1C(F)(F)F)C1CC1

InChI Key: InChIKey=URUBSJXKUYPYSQ-RLFYNMQTSA-N

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 = 465390   
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))		BDBM465390
PNG
(US10793568, Compound I-9)
Show SMILES OC(=O)c1cc(OC(F)(F)F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1ccccc1C(F)(F)F)C1CC1 |THB:24:23:18.17:20,13:17:23.22:20|
Show InChI InChI=1S/C29H21F6N3O6S/c30-28(31,32)17-4-2-1-3-16(17)22-21(24(44-37-22)12-5-6-12)26(41)42-18-10-15-7-14(18)11-38(15)27-36-23-19(43-29(33,34)35)8-13(25(39)40)9-20(23)45-27/h1-4,8-9,12,14-15,18H,5-7,10-11H2,(H,39,40)/t14-,15-,18+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 79.4n/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