null

SMILES: CCCS(=O)(=O)NC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1

InChI Key: InChIKey=ZNCWNWWVAIOTGU-XGHQBKJUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465413   

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))	BDBM465413 (US10793568, Compound I-32) Show SMILES CCCS(=O)(=O)NC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:23.24,wD:25.29,21.23,THB:26:25:20.19:22,15:19:25.24:22,(8,7.7,;6.67,6.93,;6.67,5.39,;5.33,4.62,;6.1,3.29,;4.56,5.95,;4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-.97,-5.02,;-2.6,-5.59,;-3.18,-7.03,;-2.76,-4.19,;-4.04,-3.19,;-3.61,-4.54,;-4.93,-5.33,;-6.27,-4.57,;-6.3,-3.04,;-7.6,-5.36,;-7.73,-6.9,;-9.24,-7.24,;-10.03,-5.92,;-9.01,-4.76,;-9.35,-3.26,;-8.23,-2.21,;-6.75,-2.66,;-8.57,-.71,;-10.04,-.25,;-11.17,-1.3,;-10.83,-2.8,;-11.96,-3.85,;-6.58,-7.91,;-5.06,-8.21,;-6.08,-9.37,)| Show InChI InChI=1S/C30H27Cl2FN4O6S2/c1-2-8-45(40,41)36-28(38)15-10-20(33)25-22(11-15)44-30(34-25)37-13-16-9-17(37)12-21(16)42-29(39)24-26(35-43-27(24)14-6-7-14)23-18(31)4-3-5-19(23)32/h3-5,10-11,14,16-17,21H,2,6-9,12-13H2,1H3,(H,36,38)/t16-,17-,21+/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	25.1	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