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SMILES: OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1C1CCCCC1)C1CC1

InChI Key: InChIKey=QZTGEQRPHVJQAC-BBTUJRGHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465403   
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))		BDBM465403
PNG
(US10793568, Compound I-22)
Show SMILES OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1C1CCCCC1)C1CC1 |THB:9:13:19.18:16,20:19:14.13:16|
Show InChI InChI=1S/C27H30FN3O4S/c28-20-9-16(26(32)33)10-22-24(20)29-27(36-22)31-12-17-8-18(31)11-21(17)34-13-19-23(14-4-2-1-3-5-14)30-35-25(19)15-6-7-15/h9-10,14-15,17-18,21H,1-8,11-13H2,(H,32,33)/t17-,18-,21+/m0/s1
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US Patent
n/an/an/an/a 316n/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