BDBM50161713 (4-{4-[6-Hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thiophene-3-carbonyl]-phenyl}-piperazin-1-yl)-(4-nitro-phenyl)-methanone::CHEMBL362020

SMILES: Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=WNXGFXISCVUWCA-UHFFFAOYSA-N

Data: 2 IC50

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 = 50161713   

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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50161713 ((4-{4-[6-Hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thio...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C32H25N3O6S/c36-25-11-5-21(6-12-25)31-29(27-14-13-26(37)19-28(27)42-31)30(38)20-1-7-23(8-2-20)33-15-17-34(18-16-33)32(39)22-3-9-24(10-4-22)35(40)41/h1-14,19,36-37H,15-18H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor beta				Bioorg Med Chem Lett 15: 1505-7 (2005) Article DOI: 10.1016/j.bmcl.2004.12.074 BindingDB Entry DOI: 10.7270/Q2D21X4C
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50161713 ((4-{4-[6-Hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thio...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C32H25N3O6S/c36-25-11-5-21(6-12-25)31-29(27-14-13-26(37)19-28(27)42-31)30(38)20-1-7-23(8-2-20)33-15-17-34(18-16-33)32(39)22-3-9-24(10-4-22)35(40)41/h1-14,19,36-37H,15-18H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1505-7 (2005) Article DOI: 10.1016/j.bmcl.2004.12.074 BindingDB Entry DOI: 10.7270/Q2D21X4C
					More data for this Ligand-Target Pair