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BDBM225979 FXR_72

SMILES: OC(=O)c1ccc(NC(=O)[C@H](C2CCCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1

InChI Key: InChIKey=ULHWNJMEHDZQQQ-SANMLTNESA-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 = 225979   
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))
BDBM225979
PNG
(FXR_72)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](C2CCCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C29H25ClF3N3O3/c30-19-10-7-17(8-11-19)27-34-24-14-20(31)21(32)15-25(24)36(27)26(16-5-3-1-2-4-6-16)28(37)35-23-12-9-18(29(38)39)13-22(23)33/h7-16,26H,1-6H2,(H,35,37)(H,38,39)/t26-/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 23.5n/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