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BDBM48242 2-[4-[(4-tert-butylbenzoyl)amino]phenyl]acetic acid methyl ester::2-[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]acetic acid methyl ester::MLS000535581::SMR000143017::cid_894181::methyl 2-[4-[(4-tert-butylbenzoyl)amino]phenyl]acetate::methyl 2-[4-[(4-tert-butylphenyl)carbonylamino]phenyl]ethanoate::methyl {4-[(4-tert-butylbenzoyl)amino]phenyl}acetate

SMILES: COC(=O)Cc1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1

InChI Key: InChIKey=LXUAKKZKRHUCGS-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 48242   
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
endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM48242
PNG
(2-[4-[(4-tert-butylbenzoyl)amino]phenyl]acetic aci...)
Show SMILES COC(=O)Cc1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C20H23NO3/c1-20(2,3)16-9-7-15(8-10-16)19(23)21-17-11-5-14(6-12-17)13-18(22)24-4/h5-12H,13H2,1-4H3,(H,21,23)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 243n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens (Human))
BDBM48242
PNG
(2-[4-[(4-tert-butylbenzoyl)amino]phenyl]acetic aci...)
Show SMILES COC(=O)Cc1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C20H23NO3/c1-20(2,3)16-9-7-15(8-10-16)19(23)21-17-11-5-14(6-12-17)13-18(22)24-4/h5-12H,13H2,1-4H3,(H,21,23)
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 310n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair