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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 = 'BDBM225977'   
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))
BDBM225977
PNG
(FXR_70)
Show SMILES Fc1cc2nc(-c3ccc(nc3)-n3cccn3)n([C@@H](C3CCOCC3)C(=O)NC3CCCCC3)c2cc1F
Show InChI InChI=1S/C28H30F2N6O2/c29-21-15-23-24(16-22(21)30)36(27(34-23)19-7-8-25(31-17-19)35-12-4-11-32-35)26(18-9-13-38-14-10-18)28(37)33-20-5-2-1-3-6-20/h4,7-8,11-12,15-18,20,26H,1-3,5-6,9-10,13-14H2,(H,33,37)/t26-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
D3R
n/an/a 915n/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