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)	Ligand	Target/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	pH	Temp °C
Multidrug resistance protein mdtK (Escherichia coli (strain K12))	BDBM50336500 ((E)-N-(9-(2-(ethoxycarbonyl)phenyl)-6-(ethylamino)...) Show SMILES CCNc1cc2oc3c\c(=N/CC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C |(-6.01,-19.07,;-4.68,-18.3,;-3.35,-19.07,;-2.01,-18.31,;-.68,-19.08,;.65,-18.3,;1.98,-19.07,;3.32,-18.3,;4.65,-19.07,;5.99,-18.3,;7.32,-19.07,;7.32,-20.61,;8.66,-21.38,;5.98,-16.75,;7.31,-15.98,;4.65,-15.99,;3.33,-16.76,;1.99,-15.98,;1.99,-14.45,;.66,-13.68,;.65,-12.15,;1.99,-11.37,;3.33,-12.14,;3.33,-13.68,;4.66,-14.45,;4.2,-15.5,;6.2,-14.46,;6.98,-13.13,;8.52,-13.14,;.65,-16.75,;-.68,-15.99,;-2.01,-16.76,;-3.34,-15.99,)| 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 AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/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 ((E)-N-(9-(2-(ethoxycarbonyl)phenyl)-6-(ethylamino)...) Show SMILES CCNc1cc2oc3c\c(=N/CC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C |(-6.01,-19.07,;-4.68,-18.3,;-3.35,-19.07,;-2.01,-18.31,;-.68,-19.08,;.65,-18.3,;1.98,-19.07,;3.32,-18.3,;4.65,-19.07,;5.99,-18.3,;7.32,-19.07,;7.32,-20.61,;8.66,-21.38,;5.98,-16.75,;7.31,-15.98,;4.65,-15.99,;3.33,-16.76,;1.99,-15.98,;1.99,-14.45,;.66,-13.68,;.65,-12.15,;1.99,-11.37,;3.33,-12.14,;3.33,-13.68,;4.66,-14.45,;4.2,-15.5,;6.2,-14.46,;6.98,-13.13,;8.52,-13.14,;.65,-16.75,;-.68,-15.99,;-2.01,-16.76,;-3.34,-15.99,)| 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 AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/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 ((E)-N-(9-(2-(ethoxycarbonyl)phenyl)-6-(ethylamino)...) Show SMILES CCNc1cc2oc3c\c(=N/CC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C |(-6.01,-19.07,;-4.68,-18.3,;-3.35,-19.07,;-2.01,-18.31,;-.68,-19.08,;.65,-18.3,;1.98,-19.07,;3.32,-18.3,;4.65,-19.07,;5.99,-18.3,;7.32,-19.07,;7.32,-20.61,;8.66,-21.38,;5.98,-16.75,;7.31,-15.98,;4.65,-15.99,;3.33,-16.76,;1.99,-15.98,;1.99,-14.45,;.66,-13.68,;.65,-12.15,;1.99,-11.37,;3.33,-12.14,;3.33,-13.68,;4.66,-14.45,;4.2,-15.5,;6.2,-14.46,;6.98,-13.13,;8.52,-13.14,;.65,-16.75,;-.68,-15.99,;-2.01,-16.76,;-3.34,-15.99,)| 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 AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.03E+4	n/a	n/a	n/a	8.4	n/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