BindingDB logo
myBDB logout

BDBM84131 2-benzamidoacetic acid [2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester::2-benzamidoacetic acid [2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl] ester::MLS000394703::SMR000242801::[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate::[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamidoethanoate::cid_3498913

SMILES: Cc1ccc(cc1NC(=O)COC(=O)CNC(=O)c1ccccc1)S(=O)(=O)N1CCOCC1

InChI Key: InChIKey=CUHJKQAIKKOBBL-UHFFFAOYSA-N

Data: 2 EC50

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 = 84131   
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
Candida albicans strain ATCC 10261 multidrug efflux pump (MDR1) gene, MDR1-A allele, complete cds


(Candida albicans)
BDBM84131
PNG
(2-benzamidoacetic acid [2-[2-methyl-5-(4-morpholin...)
Show SMILES Cc1ccc(cc1NC(=O)COC(=O)CNC(=O)c1ccccc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H25N3O7S/c1-16-7-8-18(33(29,30)25-9-11-31-12-10-25)13-19(16)24-20(26)15-32-21(27)14-23-22(28)17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,28)(H,24,26)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 65n/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
drug resistance protein 1


(Candida albicans)
BDBM84131
PNG
(2-benzamidoacetic acid [2-[2-methyl-5-(4-morpholin...)
Show SMILES Cc1ccc(cc1NC(=O)COC(=O)CNC(=O)c1ccccc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C22H25N3O7S/c1-16-7-8-18(33(29,30)25-9-11-31-12-10-25)13-19(16)24-20(26)15-32-21(27)14-23-22(28)17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,28)(H,24,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 18n/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