BindingDB logo
myBDB logout

null

SMILES: COc1ccc(cc1)N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc1ccccn1

InChI Key: InChIKey=WNEPGUQCJCSJEV-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 = 74531   
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))
BDBM74531
PNG
(MLS001212611 | N'-(4-methoxyphenyl)-N'-[2-oxidanyl...)
Show SMILES COc1ccc(cc1)N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc1ccccn1
Show InChI InChI=1S/C21H26N4O4/c1-15(2)23-20(27)14-25(16-7-9-17(29-3)10-8-16)21(28)12-11-19(26)24-18-6-4-5-13-22-18/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,27)(H,22,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74531
PNG
(MLS001212611 | N'-(4-methoxyphenyl)-N'-[2-oxidanyl...)
Show SMILES COc1ccc(cc1)N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc1ccccn1
Show InChI InChI=1S/C21H26N4O4/c1-15(2)23-20(27)14-25(16-7-9-17(29-3)10-8-16)21(28)12-11-19(26)24-18-6-4-5-13-22-18/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,27)(H,22,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
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))
BDBM74531
PNG
(MLS001212611 | N'-(4-methoxyphenyl)-N'-[2-oxidanyl...)
Show SMILES COc1ccc(cc1)N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc1ccccn1
Show InChI InChI=1S/C21H26N4O4/c1-15(2)23-20(27)14-25(16-7-9-17(29-3)10-8-16)21(28)12-11-19(26)24-18-6-4-5-13-22-18/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,27)(H,22,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
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