BDBM50514294 CHEMBL4564385

SMILES: Cc1cc(O)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1

InChI Key: InChIKey=QDABNZLSCGLKNY-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 = 50514294   

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))	BDBM50514294 (CHEMBL4564385) Show SMILES Cc1cc(O)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C28H26FNO5S/c1-17-12-19(31)2-8-23(17)26(33)28-27(24-9-3-20(32)13-25(24)36-28)35-22-6-4-21(5-7-22)34-11-10-30-15-18(14-29)16-30/h2-9,12-13,18,31-32H,10-11,14-16H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	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
Estrogen receptor (Homo sapiens (Human))	BDBM50514294 (CHEMBL4564385) Show SMILES Cc1cc(O)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C28H26FNO5S/c1-17-12-19(31)2-8-23(17)26(33)28-27(24-9-3-20(32)13-25(24)36-28)35-22-6-4-21(5-7-22)34-11-10-30-15-18(14-29)16-30/h2-9,12-13,18,31-32H,10-11,14-16H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	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