BindingDB logo
myBDB logout

BDBM67889 MLS000539217::N-(3,4-dimethylphenyl)-2-{2-ethoxy-4-[2-(phenylacetyl)carbohydrazonoyl]phenoxy}acetamide::N-[[4-[2-(3,4-dimethylanilino)-2-keto-ethoxy]-3-ethoxy-benzylidene]amino]-2-phenyl-acetamide::N-[[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylacetamide::N-[[4-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methylideneamino]-2-phenyl-ethanamide::SMR000161098::cid_1231176

SMILES: CCOc1cc(C=NNC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1

InChI Key: InChIKey=BONWHZNBACQUGP-OGLMXYFKSA-N

Data: 3 IC50

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 3 hits for monomerid = 67889   
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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67889
PNG
(MLS000539217 | N-(3,4-dimethylphenyl)-2-{2-ethoxy-...)
Show SMILES CCOc1cc(C=NNC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C27H29N3O4/c1-4-33-25-15-22(17-28-30-26(31)16-21-8-6-5-7-9-21)11-13-24(25)34-18-27(32)29-23-12-10-19(2)20(3)14-23/h5-15,17H,4,16,18H2,1-3H3,(H,29,32)(H,30,31)/b28-17+
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 6.39E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67889
PNG
(MLS000539217 | N-(3,4-dimethylphenyl)-2-{2-ethoxy-...)
Show SMILES CCOc1cc(C=NNC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C27H29N3O4/c1-4-33-25-15-22(17-28-30-26(31)16-21-8-6-5-7-9-21)11-13-24(25)34-18-27(32)29-23-12-10-19(2)20(3)14-23/h5-15,17H,4,16,18H2,1-3H3,(H,29,32)(H,30,31)/b28-17+
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.39E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM67889
PNG
(MLS000539217 | N-(3,4-dimethylphenyl)-2-{2-ethoxy-...)
Show SMILES CCOc1cc(C=NNC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C27H29N3O4/c1-4-33-25-15-22(17-28-30-26(31)16-21-8-6-5-7-9-21)11-13-24(25)34-18-27(32)29-23-12-10-19(2)20(3)14-23/h5-15,17H,4,16,18H2,1-3H3,(H,29,32)(H,30,31)/b28-17+
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.05E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair