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BDBM46350 4-[[4-(morpholinomethyl)benzoyl]amino]benzoic acid ethyl ester::4-[[[4-(4-morpholinylmethyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester::MLS000061256::SMR000070125::cid_1257531::ethyl 4-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzoate::ethyl 4-[[4-(morpholin-4-ylmethyl)phenyl]carbonylamino]benzoate::ethyl 4-{[4-(4-morpholinylmethyl)benzoyl]amino}benzoate

SMILES: CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1

InChI Key: InChIKey=HVXPCGOHBRRLOW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 46350   
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
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM46350
PNG
(4-[[4-(morpholinomethyl)benzoyl]amino]benzoic acid...)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1
Show InChI InChI=1S/C21H24N2O4/c1-2-27-21(25)18-7-9-19(10-8-18)22-20(24)17-5-3-16(4-6-17)15-23-11-13-26-14-12-23/h3-10H,2,11-15H2,1H3,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935ZR
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens (Human))
BDBM46350
PNG
(4-[[4-(morpholinomethyl)benzoyl]amino]benzoic acid...)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1
Show InChI InChI=1S/C21H24N2O4/c1-2-27-21(25)18-7-9-19(10-8-18)22-20(24)17-5-3-16(4-6-17)15-23-11-13-26-14-12-23/h3-10H,2,11-15H2,1H3,(H,22,24)
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair