BindingDB PrimarySearch

null

SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#Cc1ccc(CNC[C@H]2O[C@@H]3O[C@@H]4[C@@H](CNCc5ccc(cc5)C#C[C@]5(O)CC[C@H]6[C@@H]7CCc8cc(O)ccc8[C@H]7CC[C@]56C)O[C@H](O[C@@H]5[C@@H](CNCc6ccc(cc6)C#C[C@]6(O)CC[C@H]7[C@@H]8CCc9cc(O)ccc9[C@H]8CC[C@]67C)O[C@H](O[C@@H]6[C@@H](CNCc7ccc(cc7)C#C[C@]7(O)CC[C@H]8[C@@H]9CCc%10cc(O)ccc%10[C@H]9CC[C@]78C)O[C@H](O[C@@H]7[C@@H](CNCc8ccc(cc8)C#C[C@]8(O)CC[C@H]9[C@@H]%10CCc%11cc(O)ccc%11[C@H]%10CC[C@]89C)O[C@H](O[C@@H]8[C@@H](CNCc9ccc(cc9)C#C[C@]9(O)CC[C@H]%10[C@@H]%11CCc%12cc(O)ccc%12[C@H]%11CC[C@]9%10C)O[C@H](O[C@@H]9[C@@H](CNCc%10ccc(cc%10)C#C[C@]%10(O)CC[C@H]%11[C@@H]%12CCc%13cc(O)ccc%13[C@H]%12CC[C@]%10%11C)O[C@H](O[C@H]2[C@H](O)[C@H]3O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)cc1

InChI Key: InChIKey=ARINDAGVLMOPTF-WEPDJWHQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50309556
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM50309556 (CHEMBL604989 \| Per-6-(estradiol-17-ethynylbenzylam...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Estrogenic activity at ERalpha in human Ishikawa cells assessed as stimulation of alkaline phosphatase activity after 4 days by microplate scanning s...				Bioorg Med Chem 18: 809-21 (2010) Article DOI: 10.1016/j.bmc.2009.11.046 BindingDB Entry DOI: 10.7270/Q28K797G
University of Illinois at Chicago Curated by ChEMBL					More data for this Ligand-Target Pair