BindingDB PrimarySearch

null

SMILES: [#6]-[#7](-[#6])-c1ccc(cc1)-[#6](=[#6]-1\[#6]=[#6]/[#6](/[#6]=[#6]-1)=[#7+](\[#6])-[#6])\c1ccc(cc1)-[#7](-[#6])-[#6]

InChI Key: InChIKey=LGLFFNDHMLKUMI-UHFFFAOYSA-N

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50052802
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
Microtubule-associated protein (Homo sapiens (Human))	BDBM50052802 (CHEBI:77181 \| CRYSTAL VIOLET \| Crystal violet (15)...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	7.4	n/a
The Ohio State University					Assay Description The Tau content of fractions was determined by dot blot analysis using nitrocellulose membranes (0.2 μm porosity) as described previously [Cisek...				J Biol Chem 288: 32599-611 (2013) Article DOI: 10.1074/jbc.M113.503474 BindingDB Entry DOI: 10.7270/Q2R49PMK
The Ohio State University					More data for this Ligand-Target Pair
Deoxyribonuclease-1 (Homo sapiens (Human))	BDBM50052802 (CHEBI:77181 \| CRYSTAL VIOLET \| Crystal violet (15)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Nis Curated by ChEMBL					Assay Description Inhibition of DNase 1 (unknown origin) using (FAM)-labeled dsDNA as substrate				Eur J Med Chem 88: 101-11 (2014) Article DOI: 10.1016/j.ejmech.2014.07.040 BindingDB Entry DOI: 10.7270/Q2M32XC3
University of Nis Curated by ChEMBL					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50052802 (CHEBI:77181 \| CRYSTAL VIOLET \| Crystal violet (15)...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50052802 (CHEBI:77181 \| CRYSTAL VIOLET \| Crystal violet (15)...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Chaperonin GroEL (Escherichia coli)	BDBM50052802 (CHEBI:77181 \| CRYSTAL VIOLET \| Crystal violet (15)...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Thiosulfate sulfurtransferase (Homo sapiens)	BDBM50052802 (CHEBI:77181 \| CRYSTAL VIOLET \| Crystal violet (15)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
60 kDa heat shock protein, mitochondrial (Homo sapiens)	BDBM50052802 (CHEBI:77181 \| CRYSTAL VIOLET \| Crystal violet (15)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...				Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair