Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM465392'   

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))	BDBM465392 (US10793568, Compound I-11) Show SMILES OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1C12CCC(CC1)CC2)C1CC1 |THB:9:13:19.18:16,20:19:14.13:16| Show InChI InChI=1S/C29H30FN3O5S/c30-19-10-16(26(34)35)11-21-23(19)31-28(39-21)33-13-17-9-18(33)12-20(17)37-27(36)22-24(15-1-2-15)38-32-25(22)29-6-3-14(4-7-29)5-8-29/h10-11,14-15,17-18,20H,1-9,12-13H2,(H,34,35)/t14?,17-,18-,20+,29?/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	20	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
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