BindingDB PrimarySearch

BDBM50060874 1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione::1:6:8:10:11:13-hexahydroxy-3:4-dimethyl-meso-naphthodianthrene-7:14-dione::CHEMBL286494::Hypericin::Hyperizin::hipericina::hypericine::hypericum red

SMILES: Cc1cc(O)c2c3c1c1c(C)cc(O)c4c1c1c3c3c(c(O)cc(O)c3c2=O)c2c(O)cc(O)c(c12)c4=O

InChI Key: InChIKey=BTXNYTINYBABQR-UHFFFAOYSA-N

Data: 1 KI 11 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50060874
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50060874 (1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Binding affinity to dopamine D3 receptor				J Nat Prod 73: 1015-21 (2010) Article DOI: 10.1021/np1000329 BindingDB Entry DOI: 10.7270/Q2H99642
Westfalische Wilhelms-Universitat Curated by ChEMBL					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus)	BDBM50060874 (1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.58E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of rat liver cytosolic TrxR1 by spectrophotometry				Bioorg Med Chem 19: 631-41 (2011) Article DOI: 10.1016/j.bmc.2010.10.045 BindingDB Entry DOI: 10.7270/Q25D8S4N
University of Padova Curated by ChEMBL					More data for this Ligand-Target Pair
Thioredoxin reductase 2, mitochondrial (Rattus norvegicus)	BDBM50060874 (1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial TrxR2 by spectrophotometry				Bioorg Med Chem 19: 631-41 (2011) Article DOI: 10.1016/j.bmc.2010.10.045 BindingDB Entry DOI: 10.7270/Q25D8S4N
University of Padova Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50060874 (1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of CRF1 receptor				J Nat Prod 73: 1015-21 (2010) Article DOI: 10.1021/np1000329 BindingDB Entry DOI: 10.7270/Q2H99642
Westfalische Wilhelms-Universitat Curated by ChEMBL					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus)	BDBM50060874 (1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.58E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of rat liver cytosolic TrxR1 by spectrophotometry				Bioorg Med Chem 19: 631-41 (2011) Article DOI: 10.1016/j.bmc.2010.10.045 BindingDB Entry DOI: 10.7270/Q25D8S4N
University of Padova Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50060874 (1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Nat Prod 73: 1015-21 (2010) Article DOI: 10.1021/np1000329 BindingDB Entry DOI: 10.7270/Q2H99642
Westfalische Wilhelms-Universitat Curated by ChEMBL					More data for this Ligand-Target Pair
Glutathione reductase (Saccharomyces cerevisiae)	BDBM50060874 (1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of yeast glutathione reductase by spectrophotometry				Bioorg Med Chem 19: 631-41 (2011) Article DOI: 10.1016/j.bmc.2010.10.045 BindingDB Entry DOI: 10.7270/Q25D8S4N
University of Padova Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50060874 (1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing				J Med Chem 43: 2100-14 (2000) BindingDB Entry DOI: 10.7270/Q27D2VTS
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
cysteine protease ATG4B isoform a (Homo sapiens (Human))	BDBM50060874 (1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Atg4B (unknown origin) using YFP-LC3B-EmGFP as substrate after 40 mins by FRET-based assay				Eur J Med Chem 123: 631-638 (2016) Article DOI: 10.1016/j.ejmech.2016.07.073 BindingDB Entry DOI: 10.7270/Q2FT8P1P
University of Antwerp Curated by ChEMBL					More data for this Ligand-Target Pair
Corticotropin releasing factor receptor 1 (Homo sapiens (Human))	BDBM50060874 (1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Westfalische Wilhelms-Universitat Curated by ChEMBL					Assay Description Inhibition of recombinant CRF1 receptor expressed in CHO cells assessed as inhibition of CRF-induced cAMP formation				J Nat Prod 73: 1015-21 (2010) Article DOI: 10.1021/np1000329 BindingDB Entry DOI: 10.7270/Q2H99642
Westfalische Wilhelms-Universitat Curated by ChEMBL					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Bos taurus)	BDBM50060874 (1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...) Show SMILES Show InChI	PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description 5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)				J Med Chem 40: 3773-80 (1997) Article DOI: 10.1021/jm970292n BindingDB Entry DOI: 10.7270/Q20R9NJN
					More data for this Ligand-Target Pair
Thioredoxin reductase 2, mitochondrial (Rattus norvegicus)	BDBM50060874 (1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of rat liver mitochondrial TrxR2 by spectrophotometry				Bioorg Med Chem 19: 631-41 (2011) Article DOI: 10.1016/j.bmc.2010.10.045 BindingDB Entry DOI: 10.7270/Q25D8S4N
University of Padova Curated by ChEMBL					More data for this Ligand-Target Pair