BDBM50251012 CHEMBL465879::broussonin A

SMILES: COc1ccc(CCCc2ccc(O)cc2)c(O)c1

InChI Key: InChIKey=MSNVBURPCQDLEP-UHFFFAOYSA-N

Data: 4 IC50  2 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 6 hits for monomerid = 50251012   

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
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50251012 (CHEMBL465879 | broussonin A) Show SMILES COc1ccc(CCCc2ccc(O)cc2)c(O)c1 Show InChI InChI=1S/C16H18O3/c1-19-15-10-7-13(16(18)11-15)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of aromatase from human placental microsomes				J Nat Prod 64: 1286-93 (2001) BindingDB Entry DOI: 10.7270/Q2RB74C4
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50251012 (CHEMBL465879 | broussonin A) Show SMILES COc1ccc(CCCc2ccc(O)cc2)c(O)c1 Show InChI InChI=1S/C16H18O3/c1-19-15-10-7-13(16(18)11-15)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sookmyung Women's University Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human recombinant full length ERalpha				Bioorg Med Chem Lett 20: 3764-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.064 BindingDB Entry DOI: 10.7270/Q2DR2VP0
					More data for this Ligand-Target Pair
Pancreatic lipase (Sus scrofa (Pig))	BDBM50251012 (CHEMBL465879 | broussonin A) Show SMILES COc1ccc(CCCc2ccc(O)cc2)c(O)c1 Show InChI InChI=1S/C16H18O3/c1-19-15-10-7-13(16(18)11-15)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate preincubated for 15 mins prior substrate addition measured after 15 ...				Bioorg Med Chem Lett 22: 2760-3 (2012) Article DOI: 10.1016/j.bmcl.2012.02.088 BindingDB Entry DOI: 10.7270/Q2H41SFC
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50251012 (CHEMBL465879 | broussonin A) Show SMILES COc1ccc(CCCc2ccc(O)cc2)c(O)c1 Show InChI InChI=1S/C16H18O3/c1-19-15-10-7-13(16(18)11-15)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a
Sookmyung Women's University Curated by ChEMBL					Assay Description Transactivation of human recombinant ERalpha expressed in african green monkey CV1 cells co-expressing ERE-Luc after 24 hrs by luciferase reporter ge...				Bioorg Med Chem Lett 20: 3764-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.064 BindingDB Entry DOI: 10.7270/Q2DR2VP0
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50251012 (CHEMBL465879 | broussonin A) Show SMILES COc1ccc(CCCc2ccc(O)cc2)c(O)c1 Show InChI InChI=1S/C16H18O3/c1-19-15-10-7-13(16(18)11-15)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	530	n/a	n/a	n/a	n/a
Sookmyung Women's University Curated by ChEMBL					Assay Description Transactivation of human recombinant ERbeta expressed in african green monkey CV1 cells co-expressing ERE-Luc after 24 hrs by luciferase reporter gen...				Bioorg Med Chem Lett 20: 3764-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.064 BindingDB Entry DOI: 10.7270/Q2DR2VP0
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50251012 (CHEMBL465879 | broussonin A) Show SMILES COc1ccc(CCCc2ccc(O)cc2)c(O)c1 Show InChI InChI=1S/C16H18O3/c1-19-15-10-7-13(16(18)11-15)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sookmyung Women's University Curated by ChEMBL					Assay Description Displacement of [3H]17-beta-estradiol from human recombinant full length ERbeta				Bioorg Med Chem Lett 20: 3764-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.064 BindingDB Entry DOI: 10.7270/Q2DR2VP0
					More data for this Ligand-Target Pair