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SMILES: OC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OC(=O)c2c(noc2C2(F)CC2)-c2c(Cl)cccc2Cl)c(F)c1

InChI Key: InChIKey=ZEDKKGYCZDXHRN-CKFHNAJUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465425   
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))		BDBM465425
PNG
(US10793568, Compound I-44)
Show SMILES OC(=O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OC(=O)c2c(noc2C2(F)CC2)-c2c(Cl)cccc2Cl)c(F)c1 |wU:13.15,9.9,wD:11.10,THB:6:7:13.12:10,14:13:8.7:10,(4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;-1.68,-2.06,;-1.99,-3.57,;-2.82,-1.03,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.34,.09,;-.34,2.45,;-1.86,2.72,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;5.07,-5.56,;6.09,-4.4,;5.57,-7.02,)|
Show InChI InChI=1S/C26H20Cl2F2N2O5/c27-15-2-1-3-16(28)20(15)22-21(23(37-31-22)26(30)6-7-26)25(35)36-19-10-14-8-13(19)11-32(14)18-5-4-12(24(33)34)9-17(18)29/h1-5,9,13-14,19H,6-8,10-11H2,(H,33,34)/t13-,14-,19+/m0/s1
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US Patent
n/an/an/an/a 25.1n/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