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SMILES: OC(=O)c1cc(OC(F)(F)F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1ccccc1C(F)(F)F)C1CC1

InChI Key: InChIKey=QRVYFIJLUBCWGB-TWOQFEAHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465401   
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))		BDBM465401
PNG
(US10793568, Compound I-20)
Show SMILES OC(=O)c1cc(OC(F)(F)F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1ccccc1C(F)(F)F)C1CC1 |THB:24:23:18.17:20,13:17:23.22:20|
Show InChI InChI=1S/C29H23F6N3O5S/c30-28(31,32)19-4-2-1-3-17(19)23-18(25(43-37-23)13-5-6-13)12-41-20-10-16-7-15(20)11-38(16)27-36-24-21(42-29(33,34)35)8-14(26(39)40)9-22(24)44-27/h1-4,8-9,13,15-16,20H,5-7,10-12H2,(H,39,40)/t15-,16-,20+/m0/s1
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US Patent
n/an/an/an/a 3.98n/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