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SMILES: COC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1

InChI Key: InChIKey=XHGIYCUPVQCNIV-QYWGDWMGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465417   
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))		BDBM465417
PNG
(US10793568, Compound I-36)
Show SMILES COC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:16.18,wD:20.24,18.19,THB:21:20:15.14:17,10:14:20.19:17,(6.67,2.31,;5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.96,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)|
Show InChI InChI=1S/C28H24Cl2FN3O4S/c1-36-27(35)14-8-20(31)25-22(9-14)39-28(32-25)34-11-15-7-16(34)10-21(15)37-12-17-24(33-38-26(17)13-5-6-13)23-18(29)3-2-4-19(23)30/h2-4,8-9,13,15-16,21H,5-7,10-12H2,1H3/t15-,16-,21-/m0/s1
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US Patent
n/an/an/an/a 3.98E+3n/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