BDBM50219399 CHEMBL52598

SMILES: Oc1ccc2[C@H]([C@H](COc2c1)c1ccccc1)c1ccc(SCCN2CCCCC2)cc1

InChI Key: InChIKey=ZWHMXMZJPYQRHT-IXCJQBJRSA-N

Data: 1 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 1 hit for monomerid = 50219399   

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))	BDBM50219399 (CHEMBL52598) Show SMILES Oc1ccc2[C@H]([C@H](COc2c1)c1ccccc1)c1ccc(SCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H31NO2S/c30-23-11-14-25-27(19-23)31-20-26(21-7-3-1-4-8-21)28(25)22-9-12-24(13-10-22)32-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,19,26,28,30H,2,5-6,15-18,20H2/t26-,28-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue				Bioorg Med Chem Lett 12: 17-9 (2002) BindingDB Entry DOI: 10.7270/Q2X350NF
					More data for this Ligand-Target Pair