BDBM50233204 CHEMBL4094499

SMILES: Cc1cccc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1

InChI Key: InChIKey=AFKHJLINIGEQDW-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 = 50233204   

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))	BDBM50233204 (CHEMBL4094499) Show SMILES Cc1cccc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H20O5S/c1-15-4-3-5-16(2)23(15)24(30)26-25(20-12-9-18(27)14-21(20)32-26)31-19-10-6-17(7-11-19)8-13-22(28)29/h3-14,27H,1-2H3,(H,28,29)/b13-8+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	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))	BDBM50233204 (CHEMBL4094499) Show SMILES Cc1cccc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H20O5S/c1-15-4-3-5-16(2)23(15)24(30)26-25(20-12-9-18(27)14-21(20)32-26)31-19-10-6-17(7-11-19)8-13-22(28)29/h3-14,27H,1-2H3,(H,28,29)/b13-8+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	0.650	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
Estrogen receptor (Homo sapiens (Human))	BDBM50233204 (CHEMBL4094499) Show SMILES Cc1cccc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H20O5S/c1-15-4-3-5-16(2)23(15)24(30)26-25(20-12-9-18(27)14-21(20)32-26)31-19-10-6-17(7-11-19)8-13-22(28)29/h3-14,27H,1-2H3,(H,28,29)/b13-8+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.20	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