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3 similar compounds to monomer 84145

Compile data set for download or QSAR
Wt: 470.9
BDBM84136
Wt: 514.5
BDBM91520
Wt: 502.5
BDBM91521

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 84136,91520,91521   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
drug resistance protein 1


(Candida albicans)
BDBM84136
PNG
(MLS000877345 | SMR000451085 | cid_16682183)
Show SMILES CC(C)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)C21CC(=NO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClFN2O4/c1-15(2)23(31)29-11-9-24(10-12-29)25(22(30)19-13-18(27)7-8-21(19)32-24)14-20(28-33-25)16-3-5-17(26)6-4-16/h3-8,13,15H,9-12,14H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.26E+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)


BindingDB Entry DOI: 10.7270/Q24M932M
More data for this
Ligand-Target Pair
Candida albicans strain ATCC 10261 multidrug efflux pump (MDR1) gene, MDR1-A allele, complete cds


(Candida albicans)
BDBM91521
PNG
(MLS000877382 | SMR000463735 | cid_16746082)
Show SMILES Fc1ccc2OC3(CCN(CC3)C(=O)\C=C\c3cccs3)C3(CC(=NO3)c3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C28H23FN2O4S/c29-20-8-10-24-22(17-20)26(33)28(18-23(30-35-28)19-5-2-1-3-6-19)27(34-24)12-14-31(15-13-27)25(32)11-9-21-7-4-16-36-21/h1-11,16-17H,12-15,18H2/b11-9+
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.97E+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/Q2765CXD
More data for this
Ligand-Target Pair
Candida albicans strain ATCC 10261 multidrug efflux pump (MDR1) gene, MDR1-A allele, complete cds


(Candida albicans)
BDBM91520
PNG
(MLS000877365 | SMR000451100 | cid_16682210)
Show SMILES Fc1ccc2OC3(CCN(CC3)C(=O)c3ccc4OCOc4c3)C3(CC(=NO3)c3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C29H23FN2O6/c30-20-7-9-23-21(15-20)26(33)29(16-22(31-38-29)18-4-2-1-3-5-18)28(37-23)10-12-32(13-11-28)27(34)19-6-8-24-25(14-19)36-17-35-24/h1-9,14-15H,10-13,16-17H2
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.25E+3n/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/Q2765CXD
More data for this
Ligand-Target Pair
Candida albicans strain ATCC 10261 multidrug efflux pump (MDR1) gene, MDR1-A allele, complete cds


(Candida albicans)
BDBM84136
PNG
(MLS000877345 | SMR000451085 | cid_16682183)
Show SMILES CC(C)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)C21CC(=NO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClFN2O4/c1-15(2)23(31)29-11-9-24(10-12-29)25(22(30)19-13-18(27)7-8-21(19)32-24)14-20(28-33-25)16-3-5-17(26)6-4-16/h3-8,13,15H,9-12,14H2,1-2H3
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.17E+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)


BindingDB Entry DOI: 10.7270/Q20V8B9F
More data for this
Ligand-Target Pair