BDBM50186728 CHEMBL3823426

SMILES: Cc1c(-c2ccc(O)cc2)n(CCCCn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)c2ccc(O)cc12

InChI Key: InChIKey=JHABLDGSUDJNGT-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 = 50186728   

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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50186728 (CHEMBL3823426) Show SMILES Cc1c(-c2ccc(O)cc2)n(CCCCn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)c2ccc(O)cc12 Show InChI InChI=1S/C34H32N2O4/c1-21-29-19-27(39)13-15-31(29)35(33(21)23-5-9-25(37)10-6-23)17-3-4-18-36-32-16-14-28(40)20-30(32)22(2)34(36)24-7-11-26(38)12-8-24/h5-16,19-20,37-40H,3-4,17-18H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of ER-beta (unknown origin) by Lanthascreen-FRET assay				Bioorg Med Chem 24: 4075-4099 (2016) BindingDB Entry DOI: 10.7270/Q2T43W1S
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50186728 (CHEMBL3823426) Show SMILES Cc1c(-c2ccc(O)cc2)n(CCCCn2c(c(C)c3cc(O)ccc23)-c2ccc(O)cc2)c2ccc(O)cc12 Show InChI InChI=1S/C34H32N2O4/c1-21-29-19-27(39)13-15-31(29)35(33(21)23-5-9-25(37)10-6-23)17-3-4-18-36-32-16-14-28(40)20-30(32)22(2)34(36)24-7-11-26(38)12-8-24/h5-16,19-20,37-40H,3-4,17-18H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	436	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of ER-alpha (unknown origin) by Lanthascreen-FRET assay				Bioorg Med Chem 24: 4075-4099 (2016) BindingDB Entry DOI: 10.7270/Q2T43W1S
					More data for this Ligand-Target Pair