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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 = 'BDBM465429'   
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))
BDBM465429
PNG
(US10793568, Compound I-48)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OC(=O)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)c(F)c1 |wU:17.19,13.13,wD:15.14,THB:18:17:12.11:14,10:11:17.16:14,(5.62,-11.89,;7.07,-11.39,;8.53,-10.89,;7.57,-12.84,;6.57,-9.93,;5.06,-9.63,;4.05,-10.8,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.26,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-1.99,-3.57,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
Show InChI InChI=1S/C27H24Cl2FN3O6S/c1-40(36,37)32-26(34)14-7-8-20(19(30)10-14)33-12-15-9-16(33)11-21(15)38-27(35)23-24(31-39-25(23)13-5-6-13)22-17(28)3-2-4-18(22)29/h2-4,7-8,10,13,15-16,21H,5-6,9,11-12H2,1H3,(H,32,34)/t15-,16-,21+/m0/s1
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US Patent
n/an/an/an/a 25.1n/an/an/an/a



ARDELYX, INC.

US Patent


Assay Description
The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...


US Patent US10793568 (2020)


BindingDB Entry DOI: 10.7270/Q21C20Z1
More data for this
Ligand-Target Pair