BDBM50514283 CHEMBL4524872

SMILES: Oc1ccc2c(Oc3ccc(OCCN4CC(CF)C4)cc3)c(sc2c1)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=SLDDUMSXIWGHHB-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 = 50514283   

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))	BDBM50514283 (CHEMBL4524872) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CC(CF)C4)cc3)c(sc2c1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H23F2NO4S/c28-14-17-15-30(16-17)11-12-33-21-6-8-22(9-7-21)34-26-23-10-5-20(31)13-24(23)35-27(26)25(32)18-1-3-19(29)4-2-18/h1-10,13,17,31H,11-12,14-16H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	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))	BDBM50514283 (CHEMBL4524872) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CC(CF)C4)cc3)c(sc2c1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H23F2NO4S/c28-14-17-15-30(16-17)11-12-33-21-6-8-22(9-7-21)34-26-23-10-5-20(31)13-24(23)35-27(26)25(32)18-1-3-19(29)4-2-18/h1-10,13,17,31H,11-12,14-16H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	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