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BDBM226001 FXR_94

SMILES: O=C(NC1CCCCC1)n1c2CN(CCc2cc1-c1ccccc1)S(=O)(=O)c1cccs1

InChI Key: InChIKey=VODNEJQCNRFGHI-UHFFFAOYSA-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 = 226001   
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


(Homo sapiens (Human))
BDBM226001
PNG
(FXR_94)
Show SMILES O=C(NC1CCCCC1)n1c2CN(CCc2cc1-c1ccccc1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C24H27N3O3S2/c28-24(25-20-10-5-2-6-11-20)27-21(18-8-3-1-4-9-18)16-19-13-14-26(17-22(19)27)32(29,30)23-12-7-15-31-23/h1,3-4,7-9,12,15-16,20H,2,5-6,10-11,13-14,17H2,(H,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 1.86E+4n/an/an/an/a7.4n/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 [...


D3R 882: (2017)


BindingDB Entry DOI: 10.7270/Q2MC8XWV
More data for this
Ligand-Target Pair