BDBM50161700 CHEMBL180176::[6-Hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thiophen-3-yl]-{4-[4-(4-nitro-phenyl)-piperazin-1-yl]-phenyl}-methanone

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

InChI Key: InChIKey=XCTXIPQIYWWWTJ-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 = 50161700   

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
Estrogen receptor (Homo sapiens (Human))	BDBM50161700 (CHEMBL180176 | [6-Hydroxy-2-(4-hydroxy-phenyl)-ben...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C31H25N3O5S/c35-25-11-3-21(4-12-25)31-29(27-14-13-26(36)19-28(27)40-31)30(37)20-1-5-22(6-2-20)32-15-17-33(18-16-32)23-7-9-24(10-8-23)34(38)39/h1-14,19,35-36H,15-18H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50161700 (CHEMBL180176 | [6-Hydroxy-2-(4-hydroxy-phenyl)-ben...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C31H25N3O5S/c35-25-11-3-21(4-12-25)31-29(27-14-13-26(36)19-28(27)40-31)30(37)20-1-5-22(6-2-20)32-15-17-33(18-16-32)23-7-9-24(10-8-23)34(38)39/h1-14,19,35-36H,15-18H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.2	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