null

SMILES: CS(=O)(=O)CCNC(=O)c1ccc(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1

InChI Key: InChIKey=GZKPDTSPKGWKDB-FXJWSJNKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465521   

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))	BDBM465521 (US10793568, Compound I-170) Show SMILES CS(=O)(=O)CCNC(=O)c1ccc(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:22.25,18.19,wD:20.20,THB:23:22:17.16:19,12:16:22.21:19,(-.98,-8.45,;.53,-8.75,;.82,-7.24,;.23,-10.26,;2.04,-9.04,;2.54,-10.5,;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,;5.07,-5.56,;5.57,-7.02,;7.09,-7.31,;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,)| Show InChI InChI=1S/C29H30Cl2FN3O5S/c1-41(37,38)10-9-33-29(36)20-8-7-18(12-24(20)32)35-14-17-11-19(35)13-25(17)39-15-21-27(34-40-28(21)16-5-6-16)26-22(30)3-2-4-23(26)31/h2-4,7-8,12,16-17,19,25H,5-6,9-11,13-15H2,1H3,(H,33,36)/t17-,19-,25+/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