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SMILES: OC(=O)c1ccc(cc1)[N+]1([O-])C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1

InChI Key: InChIKey=FVCARIBZMJQARO-GTFJTEBLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465477   
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))		BDBM465477
PNG
(US10793568, Compound I-127)
Show SMILES OC(=O)c1ccc(cc1)[N+]1([O-])C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:14.14,16.19,wD:12.13,TLB:17:16:9.11:13,10:9:15.16:13,6:9:15.16:13,(-5.76,-.38,;-5.17,-1.8,;-6.11,-3.02,;-3.65,-2,;-2.71,-.78,;-1.18,-.99,;-.59,-2.41,;-1.53,-3.63,;-3.06,-3.43,;.93,-2.61,;.57,-1.12,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;5.07,-5.56,;5.57,-7.02,;4.69,-8.28,;5.61,-9.51,;7.07,-9.01,;7.05,-7.47,;8.28,-6.54,;9.69,-7.15,;9.88,-8.68,;10.93,-6.22,;10.74,-4.69,;9.32,-4.09,;8.09,-5.02,;6.67,-4.41,;3.15,-8.3,;1.83,-9.09,;1.8,-7.55,)|
Show InChI InChI=1S/C26H24Cl2N2O5/c27-20-2-1-3-21(28)23(20)24-19(25(35-29-24)14-4-5-14)13-34-22-11-18-10-16(22)12-30(18,33)17-8-6-15(7-9-17)26(31)32/h1-3,6-9,14,16,18,22H,4-5,10-13H2,(H,31,32)/t16-,18-,22+,30?/m0/s1
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US Patent
n/an/an/an/a 0.501n/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