BDBM50544032 CHEMBL4643030

SMILES: CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C)C(O)=O)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=MFHKIRWEZYBPJQ-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 = 50544032   

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))	BDBM50544032 (CHEMBL4643030) Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C)C(O)=O)-c1c(Cl)cccc1Cl |(35.01,-13.06,;35.63,-11.65,;37.16,-11.49,;34.73,-10.41,;33.19,-10.41,;32.72,-8.94,;33.96,-8.03,;35.21,-8.94,;36.67,-8.46,;37.82,-9.5,;39.28,-9.02,;40.43,-10.05,;41.88,-9.58,;42.21,-8.07,;41.06,-7.04,;39.6,-7.52,;43.67,-7.59,;44.92,-8.49,;46.16,-7.58,;47.66,-7.9,;48.69,-6.75,;48.2,-5.29,;46.71,-4.98,;45.69,-6.12,;44.15,-6.13,;43.24,-4.88,;49.22,-4.14,;50.73,-4.46,;48.74,-2.68,;33.95,-6.49,;35.29,-5.72,;36.62,-6.49,;35.28,-4.17,;33.95,-3.41,;32.62,-4.17,;32.61,-5.72,;31.28,-6.49,)| Show InChI InChI=1S/C28H23Cl2N3O4/c1-15(2)26-19(25(32-37-26)24-20(29)5-4-6-21(24)30)14-36-18-10-7-16(8-11-18)27-31-22-12-9-17(28(34)35)13-23(22)33(27)3/h4-13,15H,14H2,1-3H3,(H,34,35)	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	32	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))	BDBM50544032 (CHEMBL4643030) Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C)C(O)=O)-c1c(Cl)cccc1Cl |(35.01,-13.06,;35.63,-11.65,;37.16,-11.49,;34.73,-10.41,;33.19,-10.41,;32.72,-8.94,;33.96,-8.03,;35.21,-8.94,;36.67,-8.46,;37.82,-9.5,;39.28,-9.02,;40.43,-10.05,;41.88,-9.58,;42.21,-8.07,;41.06,-7.04,;39.6,-7.52,;43.67,-7.59,;44.92,-8.49,;46.16,-7.58,;47.66,-7.9,;48.69,-6.75,;48.2,-5.29,;46.71,-4.98,;45.69,-6.12,;44.15,-6.13,;43.24,-4.88,;49.22,-4.14,;50.73,-4.46,;48.74,-2.68,;33.95,-6.49,;35.29,-5.72,;36.62,-6.49,;35.28,-4.17,;33.95,-3.41,;32.62,-4.17,;32.61,-5.72,;31.28,-6.49,)| Show InChI InChI=1S/C28H23Cl2N3O4/c1-15(2)26-19(25(32-37-26)24-20(29)5-4-6-21(24)30)14-36-18-10-7-16(8-11-18)27-31-22-12-9-17(28(34)35)13-23(22)33(27)3/h4-13,15H,14H2,1-3H3,(H,34,35)	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	7.15E+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