BDBM50222290 3'-chloro-7,8-dihydroxyisoflavone::CHEMBL241815::IR-308

SMILES: Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O

InChI Key: InChIKey=KGASEMKSFXQPPD-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 50222290   

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
15-Lipoxygenase-2 (15-LOX-2) (Homo sapiens (Human))	BDBM50222290 (3'-chloro-7,8-dihydroxyisoflavone | CHEMBL241815 |...) Show SMILES Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(6-9)11-7-20-15-10(13(11)18)4-5-12(17)14(15)19/h1-7,17,19H	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50222290 (3'-chloro-7,8-dihydroxyisoflavone | CHEMBL241815 |...) Show SMILES Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(6-9)11-7-20-15-10(13(11)18)4-5-12(17)14(15)19/h1-7,17,19H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.3	25
Universidad de Santiago					Assay Description The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 °C). Reactions with the crude, a...				Chem Biol Drug Des 86: 114-21 (2015) Article DOI: 10.1111/cbdd.12469 BindingDB Entry DOI: 10.7270/Q2PZ57JF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50222290 (3'-chloro-7,8-dihydroxyisoflavone | CHEMBL241815 |...) Show SMILES Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(6-9)11-7-20-15-10(13(11)18)4-5-12(17)14(15)19/h1-7,17,19H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.68E+4	n/a	n/a	n/a	n/a
Chongqing University Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha H1047R mutant (unknown origin) by HTRF assay				Eur J Med Chem 158: 707-719 (2018) Article DOI: 10.1016/j.ejmech.2018.09.002 BindingDB Entry DOI: 10.7270/Q2PK0JVH
					More data for this Ligand-Target Pair
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM50222290 (3'-chloro-7,8-dihydroxyisoflavone | CHEMBL241815 |...) Show SMILES Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(6-9)11-7-20-15-10(13(11)18)4-5-12(17)14(15)19/h1-7,17,19H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Chile Curated by ChEMBL					Assay Description Inhibition of 12-hLO				Bioorg Med Chem 15: 7408-25 (2007) Article DOI: 10.1016/j.bmc.2007.07.036 BindingDB Entry DOI: 10.7270/Q2RN37KN
					More data for this Ligand-Target Pair
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM50222290 (3'-chloro-7,8-dihydroxyisoflavone | CHEMBL241815 |...) Show SMILES Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(6-9)11-7-20-15-10(13(11)18)4-5-12(17)14(15)19/h1-7,17,19H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Chile Curated by ChEMBL					Assay Description Inhibition of 15-hLO1				Bioorg Med Chem 15: 7408-25 (2007) Article DOI: 10.1016/j.bmc.2007.07.036 BindingDB Entry DOI: 10.7270/Q2RN37KN
					More data for this Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2) (Homo sapiens (Human))	BDBM50222290 (3'-chloro-7,8-dihydroxyisoflavone | CHEMBL241815 |...) Show SMILES Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(6-9)11-7-20-15-10(13(11)18)4-5-12(17)14(15)19/h1-7,17,19H	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Chile Curated by ChEMBL					Assay Description Inhibition of 15-hLO2				Bioorg Med Chem 15: 7408-25 (2007) Article DOI: 10.1016/j.bmc.2007.07.036 BindingDB Entry DOI: 10.7270/Q2RN37KN
					More data for this Ligand-Target Pair