null

SMILES: CC(C)C(=O)OCCS(=O)(=O)NC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1

InChI Key: InChIKey=HEMNWPSTYFHFET-JEYPMZLKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465563   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Bile acid receptor (Homo sapiens (Human))	BDBM465563 (US10793568, Compound I-213) Show SMILES CC(C)C(=O)OCCS(=O)(=O)NC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:24.24,26.29,wD:22.23,TLB:17:20:25.26:23,27:26:20.21:23,(-14.09,3.71,;-12.63,4.18,;-12.31,5.69,;-11.48,3.15,;-11.8,1.65,;-10.02,3.63,;-8.87,2.6,;-7.41,3.08,;-6.26,2.05,;-7.29,.91,;-5.23,3.2,;-5.11,1.02,;-3.65,1.5,;-3.33,3.01,;-2.5,.47,;-1.04,.95,;.11,-.08,;-.21,-1.58,;-1.68,-2.06,;-2.82,-1.03,;.93,-2.61,;.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/C32H35Cl2N3O7S/c1-18(2)32(39)42-12-13-45(40,41)36-31(38)20-8-10-22(11-9-20)37-16-21-14-23(37)15-27(21)43-17-24-29(35-44-30(24)19-6-7-19)28-25(33)4-3-5-26(28)34/h3-5,8-11,18-19,21,23,27H,6-7,12-17H2,1-2H3,(H,36,38)/t21-,23-,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.398	n/a	n/a	n/a	n/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