BDBM50213251 (rac)-7-hydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)chroman-4-one::7-Hydroxy-2-[4'-hydroxy-3'-(3-methylbut-2-enyl)phenyl]chroman-4-one::7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chroman-4-one::Abyssinone IV::CHEMBL389924

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1

InChI Key: InChIKey=NLTOTZSPOYWSSP-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50213251   

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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50213251 ((rac)-7-hydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1 Show InChI InChI=1S/C20H20O4/c1-12(2)3-4-13-9-14(5-8-17(13)22)19-11-18(23)16-7-6-15(21)10-20(16)24-19/h3,5-10,19,21-22H,4,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after 30 mins				Bioorg Med Chem 19: 3378-83 (2011) Article DOI: 10.1016/j.bmc.2011.04.037 BindingDB Entry DOI: 10.7270/Q2DF6RKT
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50213251 ((rac)-7-hydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1 Show InChI InChI=1S/C20H20O4/c1-12(2)3-4-13-9-14(5-8-17(13)22)19-11-18(23)16-7-6-15(21)10-20(16)24-19/h3,5-10,19,21-22H,4,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human aromatase				J Med Chem 50: 2799-806 (2007) Article DOI: 10.1021/jm070109i BindingDB Entry DOI: 10.7270/Q2668F0Z
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50213251 ((rac)-7-hydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1 Show InChI InChI=1S/C20H20O4/c1-12(2)3-4-13-9-14(5-8-17(13)22)19-11-18(23)16-7-6-15(21)10-20(16)24-19/h3,5-10,19,21-22H,4,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of aromatase by fluorimetric method				J Nat Prod 71: 1082-4 (2008) Article DOI: 10.1021/np800098f BindingDB Entry DOI: 10.7270/Q2ZS2XF0
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50213251 ((rac)-7-hydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1 Show InChI InChI=1S/C20H20O4/c1-12(2)3-4-13-9-14(5-8-17(13)22)19-11-18(23)16-7-6-15(21)10-20(16)24-19/h3,5-10,19,21-22H,4,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of aromatase by fluorimetric high throughput method				J Nat Prod 71: 1082-4 (2008) Article DOI: 10.1021/np800098f BindingDB Entry DOI: 10.7270/Q2ZS2XF0
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50213251 ((rac)-7-hydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1 Show InChI InChI=1S/C20H20O4/c1-12(2)3-4-13-9-14(5-8-17(13)22)19-11-18(23)16-7-6-15(21)10-20(16)24-19/h3,5-10,19,21-22H,4,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibition of aromatase by radiometric method				J Nat Prod 71: 1082-4 (2008) Article DOI: 10.1021/np800098f BindingDB Entry DOI: 10.7270/Q2ZS2XF0
					More data for this Ligand-Target Pair