BDBM50544035 CHEMBL4643503

SMILES: CC(C)c1onc(c1COc1ccc(-c2nc3ccc(cc3n2C)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=ZIZVLPXWWZSJDC-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50544035   

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 FXR (Homo sapiens (Human))	BDBM50544035 (CHEMBL4643503) Show SMILES CC(C)c1onc(c1COc1ccc(-c2nc3ccc(cc3n2C)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(35.35,-31.89,;35.97,-30.48,;37.51,-30.32,;35.07,-29.24,;33.53,-29.24,;33.06,-27.77,;34.3,-26.86,;35.55,-27.77,;37.01,-27.29,;38.16,-28.32,;39.62,-27.85,;40.77,-28.88,;42.22,-28.41,;42.55,-26.9,;44.01,-26.42,;45.26,-27.32,;46.5,-26.41,;48,-26.73,;49.03,-25.58,;48.54,-24.12,;47.05,-23.81,;46.03,-24.95,;44.49,-24.96,;43.58,-23.71,;49.56,-22.97,;51.07,-23.28,;49.08,-21.5,;41.4,-25.86,;41.71,-24.36,;39.94,-26.35,;34.29,-25.32,;35.63,-24.55,;36.97,-25.32,;35.62,-23,;34.29,-22.23,;32.96,-23,;32.95,-24.55,;31.63,-25.32,)| Show InChI InChI=1S/C28H22Cl3N3O4/c1-14(2)26-18(25(33-38-26)24-19(29)5-4-6-20(24)30)13-37-16-8-9-17(21(31)12-16)27-32-22-10-7-15(28(35)36)11-23(22)34(27)3/h4-12,14H,13H2,1-3H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Agonist activity at human FXR expressed in human HuH7 cells by luciferase reporter gene assay				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor (Homo sapiens (Human))	BDBM50544035 (CHEMBL4643503) Show SMILES CC(C)c1onc(c1COc1ccc(-c2nc3ccc(cc3n2C)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(35.35,-31.89,;35.97,-30.48,;37.51,-30.32,;35.07,-29.24,;33.53,-29.24,;33.06,-27.77,;34.3,-26.86,;35.55,-27.77,;37.01,-27.29,;38.16,-28.32,;39.62,-27.85,;40.77,-28.88,;42.22,-28.41,;42.55,-26.9,;44.01,-26.42,;45.26,-27.32,;46.5,-26.41,;48,-26.73,;49.03,-25.58,;48.54,-24.12,;47.05,-23.81,;46.03,-24.95,;44.49,-24.96,;43.58,-23.71,;49.56,-22.97,;51.07,-23.28,;49.08,-21.5,;41.4,-25.86,;41.71,-24.36,;39.94,-26.35,;34.29,-25.32,;35.63,-24.55,;36.97,-25.32,;35.62,-23,;34.29,-22.23,;32.96,-23,;32.95,-24.55,;31.63,-25.32,)| Show InChI InChI=1S/C28H22Cl3N3O4/c1-14(2)26-18(25(33-38-26)24-19(29)5-4-6-20(24)30)13-37-16-8-9-17(21(31)12-16)27-32-22-10-7-15(28(35)36)11-23(22)34(27)3/h4-12,14H,13H2,1-3H3,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Antagonist activity at human VDR transfected in HEK293T cells measured after 24 hrs by luciferase reporter gene assay				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair