BDBM50233202 CHEMBL4092208

SMILES: Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1

InChI Key: InChIKey=FXDNMIHYFCBOCB-MDWZMJQESA-N

Data: 1 KI  1 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 = 50233202   

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))	BDBM50233202 (CHEMBL4092208) Show SMILES Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C25H18O5S/c1-15-4-2-3-5-19(15)23(29)25-24(20-12-9-17(26)14-21(20)31-25)30-18-10-6-16(7-11-18)8-13-22(27)28/h2-14,26H,1H3,(H,27,28)/b13-8+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length recombinant human ESR1 expressed in insect cells by radiometric assay				J Med Chem 60: 1325-1342 (2017) BindingDB Entry DOI: 10.7270/Q29P33WB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50233202 (CHEMBL4092208) Show SMILES Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C25H18O5S/c1-15-4-2-3-5-19(15)23(29)25-24(20-12-9-17(26)14-21(20)31-25)30-18-10-6-16(7-11-18)8-13-22(27)28/h2-14,26H,1H3,(H,27,28)/b13-8+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in tamoxifen-sensitive human MCF7:WS8 cells assessed as inhibition of estradiol-induced response after 18 hrs by lucif...				J Med Chem 60: 1325-1342 (2017) BindingDB Entry DOI: 10.7270/Q29P33WB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50233202 (CHEMBL4092208) Show SMILES Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C25H18O5S/c1-15-4-2-3-5-19(15)23(29)25-24(20-12-9-17(26)14-21(20)31-25)30-18-10-6-16(7-11-18)8-13-22(27)28/h2-14,26H,1H3,(H,27,28)/b13-8+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Induction of ERalpha degradation in tamoxifen-sensitive human MCF7:WS8 cells after 24 hrs by CellTag 700 staining based In-cell western assay				J Med Chem 60: 1325-1342 (2017) BindingDB Entry DOI: 10.7270/Q29P33WB
					More data for this Ligand-Target Pair