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SMILES: Clc1ccc(cc1Cl)-c1c[n+](CC(=O)N2c3ccccc3Sc3ccccc23)c2CCCn12

InChI Key: InChIKey=BONOZTUZIIWFQU-UHFFFAOYSA-N

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 2 hits for monomerid = 78662   
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 efflux pump


(Candida albicans)		BDBM78662
PNG
(2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrol[1,...)
Show SMILES Clc1ccc(cc1Cl)-c1c[n+](CC(=O)N2c3ccccc3Sc3ccccc23)c2CCCn12
Show InChI InChI=1S/C26H20Cl2N3OS/c27-18-12-11-17(14-19(18)28)22-15-29(25-10-5-13-30(22)25)16-26(32)31-20-6-1-3-8-23(20)33-24-9-4-2-7-21(24)31/h1-4,6-9,11-12,14-15H,5,10,13,16H2/q+1
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 14n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20V8B9F
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))		BDBM78662
PNG
(2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrol[1,...)
Show SMILES Clc1ccc(cc1Cl)-c1c[n+](CC(=O)N2c3ccccc3Sc3ccccc23)c2CCCn12
Show InChI InChI=1S/C26H20Cl2N3OS/c27-18-12-11-17(14-19(18)28)22-15-29(25-10-5-13-30(22)25)16-26(32)31-20-6-1-3-8-23(20)33-24-9-4-2-7-21(24)31/h1-4,6-9,11-12,14-15H,5,10,13,16H2/q+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair