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SMILES: Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)[nH]n1

InChI Key: InChIKey=FNPDABSJSCYSGE-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 4 hits for monomerid = 74522   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74522
PNG
(5-[1-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxidan...)
Show SMILES Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)[nH]n1
Show InChI InChI=1S/C31H37N7O4/c1-22-19-27(35-34-22)33-29(40)21-38-26-12-6-5-11-25(26)30(41)37(31(38)42)16-8-7-13-28(39)32-24-14-17-36(18-15-24)20-23-9-3-2-4-10-23/h2-6,9-12,19,24H,7-8,13-18,20-21H2,1H3,(H,32,39)(H2,33,34,35,40)
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n/an/a>7.94E+4n/an/an/an/an/an/a



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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM74522
PNG
(5-[1-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxidan...)
Show SMILES Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)[nH]n1
Show InChI InChI=1S/C31H37N7O4/c1-22-19-27(35-34-22)33-29(40)21-38-26-12-6-5-11-25(26)30(41)37(31(38)42)16-8-7-13-28(39)32-24-14-17-36(18-15-24)20-23-9-3-2-4-10-23/h2-6,9-12,19,24H,7-8,13-18,20-21H2,1H3,(H,32,39)(H2,33,34,35,40)
PDB
MMDB

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n/an/a>2.00E+4n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74522
PNG
(5-[1-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxidan...)
Show SMILES Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)[nH]n1
Show InChI InChI=1S/C31H37N7O4/c1-22-19-27(35-34-22)33-29(40)21-38-26-12-6-5-11-25(26)30(41)37(31(38)42)16-8-7-13-28(39)32-24-14-17-36(18-15-24)20-23-9-3-2-4-10-23/h2-6,9-12,19,24H,7-8,13-18,20-21H2,1H3,(H,32,39)(H2,33,34,35,40)
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n/an/a>7.94E+4n/an/an/an/an/an/a



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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM74522
PNG
(5-[1-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxidan...)
Show SMILES Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)[nH]n1
Show InChI InChI=1S/C31H37N7O4/c1-22-19-27(35-34-22)33-29(40)21-38-26-12-6-5-11-25(26)30(41)37(31(38)42)16-8-7-13-28(39)32-24-14-17-36(18-15-24)20-23-9-3-2-4-10-23/h2-6,9-12,19,24H,7-8,13-18,20-21H2,1H3,(H,32,39)(H2,33,34,35,40)
PDB

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antibodypedia
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PC sid
UniChem
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n/an/a>7.94E+4n/an/an/an/an/an/a



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 (2010)


BindingDB Entry DOI: 10.7270/Q2VQ314Z
More data for this
Ligand-Target Pair