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BDBM225976 FXR_69

SMILES: OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(nc1)-n1cccn1

InChI Key: InChIKey=WYHYBBKWRQPSGE-NJVGLYJLSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 225976   
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))
BDBM225976
PNG
(FXR_69)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(nc1)-n1cccn1
Show InChI InChI=1S/C30H32F2N6O3/c31-22-15-24-25(16-23(22)32)38(28(36-24)20-9-12-26(33-17-20)37-14-4-13-34-37)27(18-5-2-1-3-6-18)29(39)35-21-10-7-19(8-11-21)30(40)41/h4,9,12-19,21,27H,1-3,5-8,10-11H2,(H,35,39)(H,40,41)/t19-,21-,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 3.85E+3n/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