BDBM50544033 CHEMBL4632854

SMILES: CC(C)c1onc(c1COc1ccc(cc1)-c1nc2cc(ccc2n1C)C(O)=O)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=KGWSPIGKIWEXQN-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 = 50544033   

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))	BDBM50544033 (CHEMBL4632854) Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1nc2cc(ccc2n1C)C(O)=O)-c1c(Cl)cccc1Cl |(66.09,-12.42,;66.72,-11.01,;68.25,-10.85,;65.82,-9.77,;64.28,-9.77,;63.79,-8.3,;65.04,-7.4,;66.29,-8.3,;67.76,-7.83,;68.9,-8.86,;70.37,-8.38,;71.5,-9.42,;72.97,-8.94,;73.3,-7.44,;72.14,-6.4,;70.68,-6.88,;74.75,-6.95,;76,-7.86,;77.24,-6.94,;78.74,-7.26,;79.77,-6.12,;79.28,-4.66,;77.78,-4.35,;76.77,-5.48,;75.23,-5.48,;74.32,-4.25,;81.28,-6.43,;82.3,-5.28,;81.76,-7.9,;65.03,-5.86,;66.37,-5.08,;67.71,-5.85,;66.37,-3.53,;65.03,-2.77,;63.7,-3.54,;63.7,-5.08,;62.36,-5.86,)| 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)27-31-22-13-17(28(34)35)9-12-23(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	26	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))	BDBM50544033 (CHEMBL4632854) Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1nc2cc(ccc2n1C)C(O)=O)-c1c(Cl)cccc1Cl |(66.09,-12.42,;66.72,-11.01,;68.25,-10.85,;65.82,-9.77,;64.28,-9.77,;63.79,-8.3,;65.04,-7.4,;66.29,-8.3,;67.76,-7.83,;68.9,-8.86,;70.37,-8.38,;71.5,-9.42,;72.97,-8.94,;73.3,-7.44,;72.14,-6.4,;70.68,-6.88,;74.75,-6.95,;76,-7.86,;77.24,-6.94,;78.74,-7.26,;79.77,-6.12,;79.28,-4.66,;77.78,-4.35,;76.77,-5.48,;75.23,-5.48,;74.32,-4.25,;81.28,-6.43,;82.3,-5.28,;81.76,-7.9,;65.03,-5.86,;66.37,-5.08,;67.71,-5.85,;66.37,-3.53,;65.03,-2.77,;63.7,-3.54,;63.7,-5.08,;62.36,-5.86,)| 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)27-31-22-13-17(28(34)35)9-12-23(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	4.41E+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