BindingDB logo
myBDB logout

BDBM50350790 BUPIVACAINE HYDROCHLORIDE::Bupivacaine::SAMPL3, G1

SMILES: CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C

InChI Key: InChIKey=LEBVLXFERQHONN-UHFFFAOYSA-N

Data: 2 IC50  1 EC50  1 ITC

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 = 50350790   
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
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50350790
PNG
(BUPIVACAINE HYDROCHLORIDE | Bupivacaine | SAMPL3, ...)
Show SMILES CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.13E+5n/an/an/an/a



Korea Institute of Science and Technology



Assay Description
The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...


Chem Biol Drug Des 88: 807-819 (2016)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50350790
PNG
(BUPIVACAINE HYDROCHLORIDE | Bupivacaine | SAMPL3, ...)
Show SMILES CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of wild-type human ERG channel expressed in CHO cells by whole-cell patch clamp technique


Eur J Med Chem 46: 3486-98 (2011)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50350790
PNG
(BUPIVACAINE HYDROCHLORIDE | Bupivacaine | SAMPL3, ...)
Show SMILES CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of wild-type human ERG channel expressed in HEK293 cells assessed as blockade of potassium tail current by whole-cell patch clamp techniqu...


Eur J Med Chem 46: 3486-98 (2011)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50350790
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM197280
JPEG
BDBM50350790
JPEG
PC cid
PC sid
CHEBI
DrugBank
KEGG
PC cid
PC sid
-5.85n/an/a4.267.4024.9



University of California San Diego





J Comput Aided Mol Des 26: 475-87 (2012)