BDBM50366659 CHEMBL1627354

SMILES: CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12

InChI Key: InChIKey=ZESXPSUGWMXBGL-VYDMHLFTSA-N

Data: 3 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 3 hits for monomerid = 50366659   

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))	BDBM50366659 (CHEMBL1627354) Show SMILES CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 Show InChI InChI=1S/C34H55NO3S/c1-4-5-21-35(3)32(38)14-12-10-8-6-7-9-11-13-22-39-30-24-25-23-26(36)15-16-27(25)28-19-20-34(2)29(33(28)30)17-18-31(34)37/h15-16,23,28-31,33,36-37H,4-14,17-22,24H2,1-3H3/t28-,29+,30-,31+,33-,34+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Antagonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50366659 (CHEMBL1627354) Show SMILES CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 Show InChI InChI=1S/C34H55NO3S/c1-4-5-21-35(3)32(38)14-12-10-8-6-7-9-11-13-22-39-30-24-25-23-26(36)15-16-27(25)28-19-20-34(2)29(33(28)30)17-18-31(34)37/h15-16,23,28-31,33,36-37H,4-14,17-22,24H2,1-3H3/t28-,29+,30-,31+,33-,34+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor alpha				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50366659 (CHEMBL1627354) Show SMILES CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 Show InChI InChI=1S/C34H55NO3S/c1-4-5-21-35(3)32(38)14-12-10-8-6-7-9-11-13-22-39-30-24-25-23-26(36)15-16-27(25)28-19-20-34(2)29(33(28)30)17-18-31(34)37/h15-16,23,28-31,33,36-37H,4-14,17-22,24H2,1-3H3/t28-,29+,30-,31+,33-,34+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor beta				Bioorg Med Chem Lett 10: 147-51 (2000) BindingDB Entry DOI: 10.7270/Q2JH3MQR
					More data for this Ligand-Target Pair