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SMILES: O=C(CC#N)Nc1ccc(cc1)C(=O)OCC(=O)c1ccc2OCC(=O)Nc2c1

InChI Key: InChIKey=CGOJRSNCZAYQKU-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 3 hits for monomerid = 76030   
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
Isoform 2 of Nuclear receptor corepressor 2 (TRAC-1)


(Homo sapiens (Human))
BDBM76030
PNG
(4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2...)
Show SMILES O=C(CC#N)Nc1ccc(cc1)C(=O)OCC(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H15N3O6/c21-8-7-18(25)22-14-4-1-12(2-5-14)20(27)29-10-16(24)13-3-6-17-15(9-13)23-19(26)11-28-17/h1-6,9H,7,10-11H2,(H,22,25)(H,23,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.39E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26T0K34
More data for this
Ligand-Target Pair
Methyl-CpG-binding domain protein 2


(Homo sapiens (Human))
BDBM76030
PNG
(4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2...)
Show SMILES O=C(CC#N)Nc1ccc(cc1)C(=O)OCC(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H15N3O6/c21-8-7-18(25)22-14-4-1-12(2-5-14)20(27)29-10-16(24)13-3-6-17-15(9-13)23-19(26)11-28-17/h1-6,9H,7,10-11H2,(H,22,25)(H,23,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.38E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20K2778
More data for this
Ligand-Target Pair
Photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM76030
PNG
(4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2...)
Show SMILES O=C(CC#N)Nc1ccc(cc1)C(=O)OCC(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H15N3O6/c21-8-7-18(25)22-14-4-1-12(2-5-14)20(27)29-10-16(24)13-3-6-17-15(9-13)23-19(26)11-28-17/h1-6,9H,7,10-11H2,(H,22,25)(H,23,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.46E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BK19S0
More data for this
Ligand-Target Pair