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BDBM84145 MLS000877364::SMR000451099::cid_16682129

SMILES: CC(C)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)C21CC(=NO1)c1ccccc1

InChI Key: InChIKey=IZEXTXPOVDCQLD-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 84145   
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 CDR1


(Candida albicans)
BDBM84145
PNG
(MLS000877364 | SMR000451099 | cid_16682129)
Show SMILES CC(C)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)C21CC(=NO1)c1ccccc1
Show InChI InChI=1S/C25H25FN2O4/c1-16(2)23(30)28-12-10-24(11-13-28)25(15-20(27-32-25)17-6-4-3-5-7-17)22(29)19-14-18(26)8-9-21(19)31-24/h3-9,14,16H,10-13,15H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.39E+4n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2ZP44PB
More data for this
Ligand-Target Pair
Candida albicans strain ATCC 10261 multidrug efflux pump (MDR1) gene, MDR1-A allele, complete cds


(Candida albicans)
BDBM84145
PNG
(MLS000877364 | SMR000451099 | cid_16682129)
Show SMILES CC(C)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)C21CC(=NO1)c1ccccc1
Show InChI InChI=1S/C25H25FN2O4/c1-16(2)23(30)28-12-10-24(11-13-28)25(15-20(27-32-25)17-6-4-3-5-7-17)22(29)19-14-18(26)8-9-21(19)31-24/h3-9,14,16H,10-13,15H2,1-2H3
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a 1.25E+4n/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)


Article DOI: 10.1111/cbdd.12435
BindingDB Entry DOI: 10.7270/Q20V8B9F
More data for this
Ligand-Target Pair