BindingDB logo
myBDB logout

BDBM225953 FXR_43

SMILES: Fc1ccccc1S(=O)(=O)N1CCc2cc(C(=O)NCc3ccccc3)n(Cc3ccncc3)c2C1

InChI Key: InChIKey=WZHAJSAYRFJPAQ-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 = 225953   
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 FXR


(Homo sapiens (human))
BDBM225953
PNG
(FXR_43)
Show SMILES Fc1ccccc1S(=O)(=O)N1CCc2cc(C(=O)NCc3ccccc3)n(Cc3ccncc3)c2C1
Show InChI InChI=1S/C27H25FN4O3S/c28-23-8-4-5-9-26(23)36(34,35)31-15-12-22-16-24(27(33)30-17-20-6-2-1-3-7-20)32(25(22)19-31)18-21-10-13-29-14-11-21/h1-11,13-14,16H,12,15,17-19H2,(H,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a>1.00E+5n/an/an/an/an/an/a



D3R



Assay Description
The assay buffer contained 50 mM HEPES (pH 7.4), 10 mM NaCl, 5 mM MgCl2 and 0.01% CHAPS. The reactions were incubated for 30 min in the presence of [...


Citation and Details
More data for this
Ligand-Target Pair