null

SMILES: OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=WEAYDLGKKWCNRJ-GDZNZVCISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465391   

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))	BDBM465391 (US10793568, Compound I-10) Show SMILES OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl |wU:19.23,15.17,wD:17.18,THB:9:13:19.18:16,20:19:14.13:16,(5.33,1.54,;4,2.31,;4,3.85,;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,;-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,;1.72,-10.95,;1.22,-12.41,;-.32,-12.39,;-.77,-10.92,;-2.23,-10.42,;-1.99,-8.9,;-3.77,-10.45,;-2.97,-11.77,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.54,;3.53,-9,;2.4,-7.95,)| Show InChI InChI=1S/C27H19Cl2F2N3O5S/c28-14-2-1-3-15(29)19(14)22-20(23(39-33-22)27(31)4-5-27)25(37)38-17-9-13-6-12(17)10-34(13)26-32-21-16(30)7-11(24(35)36)8-18(21)40-26/h1-3,7-8,12-13,17H,4-6,9-10H2,(H,35,36)/t12-,13-,17+/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	100	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