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SMILES: COc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1

InChI Key: InChIKey=XKRGVSPNSYIMLG-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 = 38410   
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)
BDBM38410
PNG
(2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxidanyli...)
Show SMILES COc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1
Show InChI InChI=1S/C20H17N5O3/c1-11-6-5-7-12(10-11)25-19-16(23-20(25)27)15(17(21)26)22-18(24-19)13-8-3-4-9-14(13)28-2/h3-10H,1-2H3,(H2,21,26)(H,23,27)
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.72E+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
Diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM38410
PNG
(2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxidanyli...)
Show SMILES COc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1
Show InChI InChI=1S/C20H17N5O3/c1-11-6-5-7-12(10-11)25-19-16(23-20(25)27)15(17(21)26)22-18(24-19)13-8-3-4-9-14(13)28-2/h3-10H,1-2H3,(H2,21,26)(H,23,27)
KEGG

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.16E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair