null

SMILES: CCOc1cc(cc2sc(nc12)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O

InChI Key: InChIKey=BIXZBQMJIITPJR-TXPKVOOTSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465389   

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))	BDBM465389 (US10793568, Compound I-8) Show SMILES CCOc1cc(cc2sc(nc12)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O |wU:18.22,14.16,wD:16.17,THB:19:18:13.12:15,9:12:18.17:15,(-2.67,4.62,;-1.33,3.85,;-1.33,2.31,;0,1.54,;1.33,2.31,;2.67,1.54,;2.67,-0,;1.33,-.77,;1.01,-2.28,;-.52,-2.44,;-1.14,-1.03,;0,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;1.85,-7.74,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.96,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;4,2.31,;5.33,1.54,;4,3.85,)| Show InChI InChI=1S/C29H25Cl2N3O6S/c1-2-38-20-9-14(27(35)36)10-21-24(20)32-29(41-21)34-12-15-8-16(34)11-19(15)39-28(37)23-25(33-40-26(23)13-6-7-13)22-17(30)4-3-5-18(22)31/h3-5,9-10,13,15-16,19H,2,6-8,11-12H2,1H3,(H,35,36)/t15-,16-,19+/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