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BDBM50336500 (E)-N-(9-(2-(ethoxycarbonyl)phenyl)-6-(ethylamino)-2,7-dimethyl-3H-xanthen-3-ylidene)ethanaminium chloride::CHEMBL402140::[9-(2-ethoxycarbonyl-phenyl)-6-ethylamino-2,7-dimethyl-xanthen-(3E)-ylidene]-ethyl-ammonium; chloride::rhodamine 6G

SMILES: CCNc1cc2oc3c\c(=N/CC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C

InChI Key: InChIKey=IWWWBRIIGAXLCJ-BGABXYSRSA-N

Data: 3 Kd

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 = 50336500   
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
Multidrug resistance protein mdtK


(Escherichia coli (strain K12))
BDBM50336500
PNG
((E)-N-(9-(2-(ethoxycarbonyl)phenyl)-6-(ethylamino)...)
Show SMILES CCNc1cc2oc3c\c(=N/CC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C
Show InChI InChI=1S/C28H30N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29H,6-8H2,1-5H3/b30-24+
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.00E+3n/an/an/an/an/a



Iowa State University

Curated by ChEMBL


Assay Description
Binding affinity to purified detergent-solubilized Escherichia coli K-12 multidrug efflux protein YdhE by equilibrium dialysis method


Antimicrob Agents Chemother 52: 3052-60 (2008)


Article DOI: 10.1128/AAC.00475-08
BindingDB Entry DOI: 10.7270/Q2BC3ZT0
More data for this
Ligand-Target Pair
Multidrug resistance protein mdtK


(Escherichia coli (strain K12))
BDBM50336500
PNG
((E)-N-(9-(2-(ethoxycarbonyl)phenyl)-6-(ethylamino)...)
Show SMILES CCNc1cc2oc3c\c(=N/CC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C
Show InChI InChI=1S/C28H30N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29H,6-8H2,1-5H3/b30-24+
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.00E+3n/an/an/an/an/a



Iowa State University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli K-12 multidrug efflux protein YdhE expressed in Escherichia coli AG100AX in presence of 0.02% DDM surfactant by ...


Antimicrob Agents Chemother 52: 3052-60 (2008)


Article DOI: 10.1128/AAC.00475-08
BindingDB Entry DOI: 10.7270/Q2BC3ZT0
More data for this
Ligand-Target Pair
AcrAB-TolC


(Escherichia coli)
BDBM50336500
PNG
((E)-N-(9-(2-(ethoxycarbonyl)phenyl)-6-(ethylamino)...)
Show SMILES CCNc1cc2oc3c\c(=N/CC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C
Show InChI InChI=1S/C28H30N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29H,6-8H2,1-5H3/b30-24+
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.03E+4n/an/an/a8.4n/a



Iowa State University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli K-12 multidrug efflux protein AcrB at pH 8.4 by equilibrium dialysis method


Antimicrob Agents Chemother 52: 3052-60 (2008)


Article DOI: 10.1128/AAC.00475-08
BindingDB Entry DOI: 10.7270/Q2BC3ZT0
More data for this
Ligand-Target Pair