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BDBM225974 FXR_67

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

InChI Key: InChIKey=HDCRKZLZUYTUEN-JLDOJFOQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 225974   
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))
BDBM225974
PNG
(FXR_67)
Show SMILES OC(=O)C[C@H]1CC[C@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(nc1)-n1cccn1
Show InChI InChI=1S/C31H34F2N6O3/c32-23-16-25-26(17-24(23)33)39(30(37-25)21-9-12-27(34-18-21)38-14-4-13-35-38)29(20-5-2-1-3-6-20)31(42)36-22-10-7-19(8-11-22)15-28(40)41/h4,9,12-14,16-20,22,29H,1-3,5-8,10-11,15H2,(H,36,42)(H,40,41)/t19-,22+,29-/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 3.31E+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