BindingDB logo
myBDB logout

BDBM50052802 CHEBI:77181::CRYSTAL VIOLET::Crystal violet (15)::Hexamethyl pararosaniline

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

Data: 7 IC50

PDB links: 5 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50052802   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Microtubule-associated protein tau (TAU)(2N4R)


(Homo sapiens (Human))
BDBM50052802
PNG
(CHEBI:77181 | CRYSTAL VIOLET | Crystal violet (15)...)
Show SMILES CN(C)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](C)C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1
PDB

UniProtKB/TrEMBL

GoogleScholar
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 490n/an/an/an/a7.4n/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
More data for this
Ligand-Target Pair
Deoxyribonuclease-1


(Homo sapiens (Human))
BDBM50052802
PNG
(CHEBI:77181 | CRYSTAL VIOLET | Crystal violet (15)...)
Show SMILES CN(C)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](C)C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
10 kDa chaperonin


(Escherichia coli)
BDBM50052802
PNG
(CHEBI:77181 | CRYSTAL VIOLET | Crystal violet (15)...)
Show SMILES CN(C)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](C)C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1
PDB

UniProtKB/TrEMBL

GoogleScholar
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
10 kDa chaperonin


(Escherichia coli)
BDBM50052802
PNG
(CHEBI:77181 | CRYSTAL VIOLET | Crystal violet (15)...)
Show SMILES CN(C)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](C)C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1
PDB

UniProtKB/TrEMBL

GoogleScholar
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
60 kDa chaperonin


(Escherichia coli)
BDBM50052802
PNG
(CHEBI:77181 | CRYSTAL VIOLET | Crystal violet (15)...)
Show SMILES CN(C)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](C)C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1
PDB

UniProtKB/TrEMBL

GoogleScholar
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Thiosulfate sulfurtransferase


(Homo sapiens)
BDBM50052802
PNG
(CHEBI:77181 | CRYSTAL VIOLET | Crystal violet (15)...)
Show SMILES CN(C)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](C)C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
HSP60/HSP10


(Homo sapiens)
BDBM50052802
PNG
(CHEBI:77181 | CRYSTAL VIOLET | Crystal violet (15)...)
Show SMILES CN(C)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](C)C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/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
More data for this
Ligand-Target Pair