Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM465464'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bile acid receptor (Homo sapiens (Human))	BDBM465464 (US10793568, Compound I-115) Show SMILES Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(C(O)=O)c(F)c1 |wU:18.20,22.24,wD:20.23,TLB:25:24:18.19:21,17:18:23.24:21,(-2.51,-3.84,;-4.04,-4.01,;-4.67,-5.42,;-6.2,-5.58,;-7.11,-4.33,;-6.48,-2.93,;-7.39,-1.68,;-4.95,-2.76,;-4.33,-1.36,;-5.1,-.02,;-4.07,1.12,;-2.66,.5,;-1.33,1.27,;-.56,2.61,;.21,1.27,;-2.82,-1.03,;-1.68,-2.06,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.64,;4.05,-10.8,;6.57,-9.93,;5.57,-7.02,;7.09,-7.31,;5.07,-5.56,)| Show InChI InChI=1S/C27H26ClFN2O4/c1-14-3-2-4-21(28)24(14)25-20(26(35-30-25)15-5-6-15)13-34-23-11-18-9-16(23)12-31(18)17-7-8-19(27(32)33)22(29)10-17/h2-4,7-8,10,15-16,18,23H,5-6,9,11-13H2,1H3,(H,32,33)/t16-,18-,23+/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	0.251	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