null

SMILES: OC(=O)c1c(F)cc(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1

InChI Key: InChIKey=GUHVQVBEZJAJLH-DGCWBMGLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465452   

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))	BDBM465452 (US10793568, Compound I-104) Show SMILES OC(=O)c1c(F)cc(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:17.20,13.14,wD:15.15,THB:18:17:12.11:14,7:11:17.16:14,(4.05,-10.8,;5.06,-9.63,;6.57,-9.93,;4.56,-8.18,;3.05,-7.88,;2.04,-9.04,;2.55,-6.43,;3.56,-5.26,;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,;-1.68,-2.06,;-2.82,-1.03,;-2.66,.5,;-4.07,1.12,;-5.1,-.02,;-4.33,-1.36,;-4.95,-2.76,;-6.48,-2.93,;-7.39,-1.68,;-7.11,-4.33,;-6.2,-5.58,;-4.67,-5.42,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)| Show InChI InChI=1S/C26H22Cl2F2N2O4/c27-17-2-1-3-18(28)22(17)24-16(25(36-31-24)12-4-5-12)11-35-21-9-14-6-13(21)10-32(14)15-7-19(29)23(26(33)34)20(30)8-15/h1-3,7-8,12-14,21H,4-6,9-11H2,(H,33,34)/t13-,14-,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	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)
					More data for this Ligand-Target Pair