BindingDB logo
myBDB logout

BDBM84370 6-bromanyl-7-[4-[2-(2-hydroxyethyloxy)ethyl]piperazin-1-yl]-5,8-bis(oxidanyl)naphthalene-1,4-dione;hydrochloride::6-bromo-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl]naphthalene-1,4-dione;hydrochloride::6-bromo-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;hydrochloride::6-bromo-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazino]-1,4-naphthoquinone;hydrochloride::MLS002701606::SMR001565207::cid_378196

SMILES: OCCOCCN1CCN(CC1)c1c(O)c2C(=O)C=CC(=O)c2c(O)c1Br

InChI Key: InChIKey=UTDUJYJBLKPFGF-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 84370   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
SKiNhead family member (skn-1)


(Caenorhabditis elegans)
BDBM84370
PNG
(6-bromanyl-7-[4-[2-(2-hydroxyethyloxy)ethyl]pipera...)
Show SMILES OCCOCCN1CCN(CC1)c1c(O)c2C(=O)C=CC(=O)c2c(O)c1Br |c:19|
Show InChI InChI=1S/C18H21BrN2O6/c19-15-16(21-5-3-20(4-6-21)7-9-27-10-8-22)18(26)14-12(24)2-1-11(23)13(14)17(15)25/h1-2,22,25-26H,3-10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 7.55E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM84370
PNG
(6-bromanyl-7-[4-[2-(2-hydroxyethyloxy)ethyl]pipera...)
Show SMILES OCCOCCN1CCN(CC1)c1c(O)c2C(=O)C=CC(=O)c2c(O)c1Br |c:19|
Show InChI InChI=1S/C18H21BrN2O6/c19-15-16(21-5-3-20(4-6-21)7-9-27-10-8-22)18(26)14-12(24)2-1-11(23)13(14)17(15)25/h1-2,22,25-26H,3-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 845n/an/an/an/an/an/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) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM84370
PNG
(6-bromanyl-7-[4-[2-(2-hydroxyethyloxy)ethyl]pipera...)
Show SMILES OCCOCCN1CCN(CC1)c1c(O)c2C(=O)C=CC(=O)c2c(O)c1Br |c:19|
Show InChI InChI=1S/C18H21BrN2O6/c19-15-16(21-5-3-20(4-6-21)7-9-27-10-8-22)18(26)14-12(24)2-1-11(23)13(14)17(15)25/h1-2,22,25-26H,3-10H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.35E+3n/an/an/an/an/an/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) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair