BDBM50514295 CHEMBL4440649

SMILES: Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC[C@@H](CF)C2)cc1

InChI Key: InChIKey=ZPFXDKGUYIOWFH-FQEVSTJZSA-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 = 50514295   

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))	BDBM50514295 (CHEMBL4440649) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC[C@@H](CF)C2)cc1 |r| Show InChI InChI=1S/C30H29F2NO4S/c1-18-13-21(32)14-19(2)27(18)28(35)30-29(25-8-3-22(34)15-26(25)38-30)37-24-6-4-23(5-7-24)36-12-11-33-10-9-20(16-31)17-33/h3-8,13-15,20,34H,9-12,16-17H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	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))	BDBM50514295 (CHEMBL4440649) Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC[C@@H](CF)C2)cc1 |r| Show InChI InChI=1S/C30H29F2NO4S/c1-18-13-21(32)14-19(2)27(18)28(35)30-29(25-8-3-22(34)15-26(25)38-30)37-24-6-4-23(5-7-24)36-12-11-33-10-9-20(16-31)17-33/h3-8,13-15,20,34H,9-12,16-17H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	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