BDBM50514279 CHEMBL4527655

SMILES: CC1CN(CCOc2ccc(Oc3c(sc4cc(O)ccc34)C(=O)c3ccccc3C)cc2)C1

InChI Key: InChIKey=ZVCPMSYHWCDWSA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50514279   

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))	BDBM50514279 (CHEMBL4527655) Show SMILES CC1CN(CCOc2ccc(Oc3c(sc4cc(O)ccc34)C(=O)c3ccccc3C)cc2)C1 Show InChI InChI=1S/C28H27NO4S/c1-18-16-29(17-18)13-14-32-21-8-10-22(11-9-21)33-27-24-12-7-20(30)15-25(24)34-28(27)26(31)23-6-4-3-5-19(23)2/h3-12,15,18,30H,13-14,16-17H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514279 (CHEMBL4527655) Show SMILES CC1CN(CCOc2ccc(Oc3c(sc4cc(O)ccc34)C(=O)c3ccccc3C)cc2)C1 Show InChI InChI=1S/C28H27NO4S/c1-18-16-29(17-18)13-14-32-21-8-10-22(11-9-21)33-27-24-12-7-20(30)15-25(24)34-28(27)26(31)23-6-4-3-5-19(23)2/h3-12,15,18,30H,13-14,16-17H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.257	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580
					More data for this Ligand-Target Pair