BDBM50544710 CHEMBL4642117

SMILES: Oc1ccc(cc1)C(c1ccc(O)cc1)C(Br)(Br)Br

InChI Key: InChIKey=CSHGNLUDXTVAEE-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50544710   

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))	BDBM50544710 (CHEMBL4642117) Show SMILES Oc1ccc(cc1)C(c1ccc(O)cc1)C(Br)(Br)Br Show InChI InChI=1S/C14H11Br3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERalpha ligand binding domain expressed in Escherichia coli BL21alpha cells in...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544710 (CHEMBL4642117) Show SMILES Oc1ccc(cc1)C(c1ccc(O)cc1)C(Br)(Br)Br Show InChI InChI=1S/C14H11Br3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Antagonist activity at ERbeta (unknown origin) expressed in human HeLa cells assessed as inhibition of E2-induced transcriptional activity measured a...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544710 (CHEMBL4642117) Show SMILES Oc1ccc(cc1)C(c1ccc(O)cc1)C(Br)(Br)Br Show InChI InChI=1S/C14H11Br3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Agonist activity at ERalpha (unknown origin) expressed in human HeLa cells assessed as transcriptional activation measured after 24 hrs by luciferase...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50544710 (CHEMBL4642117) Show SMILES Oc1ccc(cc1)C(c1ccc(O)cc1)C(Br)(Br)Br Show InChI InChI=1S/C14H11Br3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERbeta ligand binding domain expressed in Escherichia coli BL21alpha cells inc...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair