BDBM50366662 CHEMBL1627356

SMILES: CN(C)C(=O)\C=C\c1ccc(S[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23)cc1

InChI Key: InChIKey=FROPUNBJULYSGP-YJSPFPDRSA-N

Data: 2 IC50  1 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 3 hits for monomerid = 50366662   

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))	BDBM50366662 (CHEMBL1627356) Show SMILES CN(C)C(=O)\C=C\c1ccc(S[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23)cc1 Show InChI InChI=1S/C29H35NO3S/c1-29-15-14-23-22-10-7-20(31)16-19(22)17-25(28(23)24(29)11-12-26(29)32)34-21-8-4-18(5-9-21)6-13-27(33)30(2)3/h4-10,13,16,23-26,28,31-32H,11-12,14-15,17H2,1-3H3/b13-6+/t23-,24+,25-,26+,28-,29+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	94	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
Estrogen receptor (Homo sapiens (Human))	BDBM50366662 (CHEMBL1627356) Show SMILES CN(C)C(=O)\C=C\c1ccc(S[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23)cc1 Show InChI InChI=1S/C29H35NO3S/c1-29-15-14-23-22-10-7-20(31)16-19(22)17-25(28(23)24(29)11-12-26(29)32)34-21-8-4-18(5-9-21)6-13-27(33)30(2)3/h4-10,13,16,23-26,28,31-32H,11-12,14-15,17H2,1-3H3/b13-6+/t23-,24+,25-,26+,28-,29+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	173	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Agonist 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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50366662 (CHEMBL1627356) Show SMILES CN(C)C(=O)\C=C\c1ccc(S[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23)cc1 Show InChI InChI=1S/C29H35NO3S/c1-29-15-14-23-22-10-7-20(31)16-19(22)17-25(28(23)24(29)11-12-26(29)32)34-21-8-4-18(5-9-21)6-13-27(33)30(2)3/h4-10,13,16,23-26,28,31-32H,11-12,14-15,17H2,1-3H3/b13-6+/t23-,24+,25-,26+,28-,29+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	59	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