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SMILES: OC(=O)c1ccc2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1

InChI Key: InChIKey=PSUANKUWDADBGN-YZVOILCLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465383   
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))		BDBM465383
PNG
(US10793568, Compound I-2)
Show SMILES OC(=O)c1ccc2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:16.17,wD:18.22,14.16,THB:19:18:13.12:15,8:12:18.17:15,(4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;,1.54,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-.97,-5.02,;-2.6,-5.59,;-3.18,-7.03,;-2.76,-4.19,;-4.04,-3.19,;-3.61,-4.54,;-4.93,-5.33,;-6.27,-4.57,;-6.3,-3.04,;-7.6,-5.36,;-7.73,-6.9,;-9.24,-7.24,;-10.03,-5.92,;-9.01,-4.76,;-9.35,-3.26,;-8.23,-2.21,;-6.75,-2.66,;-8.57,-.71,;-10.04,-.25,;-11.17,-1.3,;-10.83,-2.8,;-11.96,-3.85,;-6.58,-7.91,;-5.06,-8.21,;-6.08,-9.37,)|
Show InChI InChI=1S/C27H21Cl2N3O5S/c28-16-2-1-3-17(29)21(16)23-22(24(37-31-23)12-4-5-12)26(35)36-19-10-15-8-14(19)11-32(15)27-30-18-7-6-13(25(33)34)9-20(18)38-27/h1-3,6-7,9,12,14-15,19H,4-5,8,10-11H2,(H,33,34)/t14-,15-,19+/m0/s1
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US Patent
n/an/an/an/a 50.1n/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