BindingDB PrimarySearch

BDBM25525 24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0^{2,10}.0^{4,8}.0^{14,22}.0^{17,21}]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21),23-nonaen-24-ium::CHEMBL490129::Pseudochelerythrine::Veadent::cid_5154::sanguinarine::sangvinarin

SMILES: C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12

InChI Key: InChIKey=INVGWHRKADIJHF-UHFFFAOYSA-N

Data: 12 IC50 1 Kd

PDB links: 6 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 25525
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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM25525 (24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	8.0	22
A*STAR					Assay Description In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...				J Med Chem 51: 6699-710 (2008) Article DOI: 10.1021/jm8005433 BindingDB Entry DOI: 10.7270/Q25M641R
A*STAR					More data for this Ligand-Target Pair
Group III secretory phopholipase A2 (Homo sapiens (Human))	BDBM25525 (24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...) Show SMILES Show InChI	KEGG GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	5.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2CV4GCW
					More data for this Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin (Homo sapiens (Human))	BDBM25525 (24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...) Show SMILES Show InChI	PDB MMDB Reactome pathway B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	2.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2VX0F59
					More data for this Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin (Homo sapiens (Human))	BDBM25525 (24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...) Show SMILES Show InChI	PDB MMDB Reactome pathway B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	8.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2R49PFB
					More data for this Ligand-Target Pair
Aromatic-L-amino-acid decarboxylase (Homo sapiens (Human))	BDBM25525 (24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hunan Agricultural University Curated by ChEMBL					Assay Description Inhibition of recombinant human DOPA decarboxylase assessed as inhibition of dopamine production after 30 mins by HPLC method				Bioorg Med Chem Lett 24: 2712-6 (2014) Article DOI: 10.1016/j.bmcl.2014.04.047 BindingDB Entry DOI: 10.7270/Q29S1SKV
Hunan Agricultural University Curated by ChEMBL					More data for this Ligand-Target Pair
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM25525 (24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Exonhit Therapeutics Curated by ChEMBL					Assay Description Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay				Bioorg Med Chem Lett 19: 5594-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.037 BindingDB Entry DOI: 10.7270/Q27P8ZF4
Exonhit Therapeutics Curated by ChEMBL					More data for this Ligand-Target Pair
DNA Ligase I (Homo sapiens (Human))	BDBM25525 (24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
University of Allahabad Curated by ChEMBL					Assay Description Inhibition of human DNA ligase 1 using 52-mer DNA/25-mer DNA/27-mer DNA as substrate by fluorescence assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111657
University of Allahabad Curated by ChEMBL					More data for this Ligand-Target Pair
Regulator of G-protein signaling 17 (Homo sapiens)	BDBM25525 (24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Binding affinity to RGS17 (unknown origin) by ITC method				J Nat Prod 80: 1992-2000 (2017) Article DOI: 10.1021/acs.jnatprod.7b00112 BindingDB Entry DOI: 10.7270/Q2RB777K
University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair
Regulator of G-protein signaling 17 (Homo sapiens)	BDBM25525 (24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of RGS17 (unknown origin) GAP activity in presence of GTP by malachite green dye based assay				J Nat Prod 80: 1992-2000 (2017) Article DOI: 10.1021/acs.jnatprod.7b00112 BindingDB Entry DOI: 10.7270/Q2RB777K
University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair
Regulator of G-protein signaling 17 (Homo sapiens)	BDBM25525 (24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged RGS17 (unknown origin) interaction with biotinylated Galphao after 30 mins in presence of AMF and GDP by AlphaScre...				J Nat Prod 80: 1992-2000 (2017) Article DOI: 10.1021/acs.jnatprod.7b00112 BindingDB Entry DOI: 10.7270/Q2RB777K
University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair
Regulator of G-protein signaling 17 (Homo sapiens)	BDBM25525 (24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of RGS17 (unknown origin) C117A mutant interaction with biotinylated Galphao after 30 mins in presence of AMF and GDP by AlphaScreen assay				J Nat Prod 80: 1992-2000 (2017) Article DOI: 10.1021/acs.jnatprod.7b00112 BindingDB Entry DOI: 10.7270/Q2RB777K
University of Iowa Curated by ChEMBL					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM25525 (24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<4.51E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Inhibition of HIV1 RT				J Nat Prod 54: 143-54 Article DOI: 10.1021/np50073a012 BindingDB Entry DOI: 10.7270/Q2NK3HTG
University of Illinois Curated by ChEMBL					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1/T-lymphoma invasion and metastasis-inducing protein 1 (Homo sapiens (Human))	BDBM25525 (24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Exonhit Therapeutics Curated by ChEMBL					Assay Description Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after 40 mins by nucleotide binding competition assay				Bioorg Med Chem Lett 19: 5594-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.037 BindingDB Entry DOI: 10.7270/Q27P8ZF4
Exonhit Therapeutics Curated by ChEMBL					More data for this Ligand-Target Pair