BindingDB logo
myBDB logout

BDBM225955 FXR_45

SMILES: CCOC(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2cccs2)cc1

InChI Key: InChIKey=CIINRYINLDSICD-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 = 225955   
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))
BDBM225955
PNG
(FXR_45)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C27H23F3N4O6S2/c1-2-39-26(36)17-5-7-18(8-6-17)31-25(35)24-21-16-33(42(37,38)23-4-3-15-41-23)14-13-22(21)32-34(24)19-9-11-20(12-10-19)40-27(28,29)30/h3-12,15H,2,13-14,16H2,1H3,(H,31,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 2.89E+4n/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