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BDBM226009 FXR_102

SMILES: O=C(Nc1ccc(cc1)C(=O)N1CCOCC1)c1c2CN(CCc2nn1-c1ccccc1)S(=O)(=O)c1cccs1

InChI Key: InChIKey=KHCAUIBCDYDTGQ-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 226009   
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))
BDBM226009
PNG
(FXR_102)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCOCC1)c1c2CN(CCc2nn1-c1ccccc1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C28H27N5O5S2/c34-27(29-21-10-8-20(9-11-21)28(35)31-14-16-38-17-15-31)26-23-19-32(40(36,37)25-7-4-18-39-25)13-12-24(23)30-33(26)22-5-2-1-3-6-22/h1-11,18H,12-17,19H2,(H,29,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 2.92E+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