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SMILES: Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc2C(=O)NCc2c1

InChI Key: InChIKey=HXWTXISBBSVPOY-TXBYWVTISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465487   
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))		BDBM465487
PNG
(US10793568, Compound I-135)
Show SMILES Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc2C(=O)NCc2c1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.24:21,25:24:18.19:21,(10.53,-7.71,;10.08,-6.24,;11.13,-5.11,;10.67,-3.64,;9.17,-3.3,;8.12,-4.43,;6.62,-4.08,;8.58,-5.9,;7.53,-7.03,;7.83,-8.54,;6.48,-9.29,;5.35,-8.24,;3.84,-8.54,;2.68,-9.55,;2.38,-8.04,;6,-6.84,;5.25,-5.5,;3.71,-5.48,;2.96,-4.13,;4,-3.19,;2.4,-3.41,;1.35,-6.08,;1.56,-4.54,;.43,-3.24,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;1.01,3.82,;2.04,4.96,;-.52,3.98,;-1.14,2.57,;,1.54,;)|
Show InChI InChI=1S/C27H25Cl2N3O3/c28-21-2-1-3-22(29)24(21)25-20(26(35-31-25)14-4-5-14)13-34-23-10-18-9-16(23)12-32(18)17-6-7-19-15(8-17)11-30-27(19)33/h1-3,6-8,14,16,18,23H,4-5,9-13H2,(H,30,33)/t16-,18-,23+/m0/s1
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US Patent
n/an/an/an/a 0.398n/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