null

SMILES: CS(=O)(=O)NC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1

InChI Key: InChIKey=QNHSKYOQNCDXQO-DJPFJPOOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 465426   

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))	BDBM465426 (US10793568, Compound I-45) Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:19.22,15.16,wD:17.17,THB:20:19:14.13:16,10:13:19.18:16,(5.62,-11.89,;7.07,-11.39,;8.53,-10.89,;7.57,-12.84,;6.57,-9.93,;5.06,-9.63,;4.05,-10.8,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.26,;2.55,-6.43,;3.05,-7.88,;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,;-1.99,-3.57,;-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,-5.41,;-4.04,-4.01,;-2.51,-3.84,;-1.33,1.27,;-.56,2.61,;.21,1.27,)| Show InChI InChI=1S/C27H25Cl2N3O6S/c1-39(35,36)31-26(33)15-7-9-17(10-8-15)32-13-16-11-18(32)12-21(16)37-27(34)23-24(30-38-25(23)14-5-6-14)22-19(28)3-2-4-20(22)29/h2-4,7-10,14,16,18,21H,5-6,11-13H2,1H3,(H,31,33)/t16-,18-,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	31.6	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