BDBM30331 Naphthoic acid-based analog, 1d

SMILES: CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2ccc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=GSTNOFVRIRGPDE-UHFFFAOYSA-N

Data: 2 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 = 30331   

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 (Homo sapiens (Human))	BDBM30331 (Naphthoic acid-based analog, 1d) Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2ccc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-15.73,2.43,;-17.06,1.66,;-15.73,3.97,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)| Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)4-3-5-26(27)32)16-36-23-12-10-18(11-13-23)20-8-6-19-7-9-21(30(34)35)15-22(19)14-20/h3-15,17H,16H2,1-2H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
GSK					Assay Description The cell-based assay measures the ligand-mediated luminescense resulting from FXR-induced transcription of a luciferase reporter. FXR and the lucifer...				Bioorg Med Chem Lett 18: 4339-43 (2008) Article DOI: 10.1016/j.bmcl.2008.06.073 BindingDB Entry DOI: 10.7270/Q2KK994P
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM30331 (Naphthoic acid-based analog, 1d) Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2ccc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-15.73,2.43,;-17.06,1.66,;-15.73,3.97,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)| Show InChI InChI=1S/C30H23Cl2NO4/c1-17(2)29-24(28(33-37-29)27-25(31)4-3-5-26(27)32)16-36-23-12-10-18(11-13-23)20-8-6-19-7-9-21(30(34)35)15-22(19)14-20/h3-15,17H,16H2,1-2H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	420	n/a	n/a	7.5	22
GSK					Assay Description The assay measures ligand-mediated interaction of the SRC-1 peptide with the FXR ligand binding domain, using biotinylated FXR LBD coupled to allophy...				Bioorg Med Chem Lett 18: 4339-43 (2008) Article DOI: 10.1016/j.bmcl.2008.06.073 BindingDB Entry DOI: 10.7270/Q2KK994P
					More data for this Ligand-Target Pair