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SMILES: Cc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(=O)NCCP(O)(O)=O

InChI Key: InChIKey=NTRWKECFMGBZET-ZYLNGJIFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465524   
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))		BDBM465524
PNG
(US10793568, Compound I-173)
Show SMILES Cc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(=O)NCCP(O)(O)=O |wU:13.16,9.10,wD:11.11,THB:14:13:8.7:10,6:7:13.12:10,(6.09,-4.4,;5.07,-5.56,;5.57,-7.02,;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,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;5.06,-9.64,;6.57,-9.93,;4.05,-10.8,;2.54,-10.5,;2.04,-9.04,;.53,-8.75,;.82,-7.24,;.23,-10.26,;-.98,-8.45,)|
Show InChI InChI=1S/C29H32Cl2N3O6P/c1-16-11-18(29(35)32-9-10-41(36,37)38)7-8-24(16)34-14-19-12-20(34)13-25(19)39-15-21-27(33-40-28(21)17-5-6-17)26-22(30)3-2-4-23(26)31/h2-4,7-8,11,17,19-20,25H,5-6,9-10,12-15H2,1H3,(H,32,35)(H2,36,37,38)/t19-,20-,25+/m0/s1
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US Patent
n/an/an/an/a 0.631n/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