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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 = 'BDBM225950'   
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))
BDBM225950
PNG
(FXR_40)
Show SMILES OC(=O)CCc1ccc(cc1)-c1nc2ccccc2n1[C@@H](C1CCCCC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C30H37N3O3/c34-27(35)20-17-21-15-18-23(19-16-21)29-32-25-13-7-8-14-26(25)33(29)28(22-9-3-1-4-10-22)30(36)31-24-11-5-2-6-12-24/h7-8,13-16,18-19,22,24,28H,1-6,9-12,17,20H2,(H,31,36)(H,34,35)/t28-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
D3R
n/an/a 9.12E+3n/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