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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM225962'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bile acid receptor


(Homo sapiens (Human))
BDBM225962
PNG
(FXR_52)
Show SMILES Fc1ccc2nc(COc3ccc(Cl)cc3Cl)n([C@@H](C3CCCCC3)C(=O)NC3CCCCC3)c2c1
Show InChI InChI=1S/C28H32Cl2FN3O2/c29-19-11-14-25(22(30)15-19)36-17-26-33-23-13-12-20(31)16-24(23)34(26)27(18-7-3-1-4-8-18)28(35)32-21-9-5-2-6-10-21/h11-16,18,21,27H,1-10,17H2,(H,32,35)/t27-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
D3R
n/an/a 340n/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)

More data for this
Ligand-Target Pair