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SMILES: C\C=C\C=C\C(=O)N1Cc2cc(OCCc3nc(CCCCC(C)C)oc3C)ccc2C[C@H]1C(O)=O

InChI Key: InChIKey=UCMDWMPNLSRUQA-JSQNHAMWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50361292   
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 1


(Homo sapiens (Human))
BDBM50361292
PNG
(CHEMBL1935607)
Show SMILES C\C=C\C=C\C(=O)N1Cc2cc(OCCc3nc(CCCCC(C)C)oc3C)ccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C29H38N2O5/c1-5-6-7-12-28(32)31-19-23-17-24(14-13-22(23)18-26(31)29(33)34)35-16-15-25-21(4)36-27(30-25)11-9-8-10-20(2)3/h5-7,12-14,17,20,26H,8-11,15-16,18-19H2,1-4H3,(H,33,34)/b6-5+,12-7+/t26-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.15E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of PTB1B using pNPP as substrate after 30 mins


Bioorg Med Chem 20: 1060-75 (2012)


Article DOI: 10.1016/j.bmc.2011.11.035
BindingDB Entry DOI: 10.7270/Q2BC3ZZS
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50361292
PNG
(CHEMBL1935607)
Show SMILES C\C=C\C=C\C(=O)N1Cc2cc(OCCc3nc(CCCCC(C)C)oc3C)ccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C29H38N2O5/c1-5-6-7-12-28(32)31-19-23-17-24(14-13-22(23)18-26(31)29(33)34)35-16-15-25-21(4)36-27(30-25)11-9-8-10-20(2)3/h5-7,12-14,17,20,26H,8-11,15-16,18-19H2,1-4H3,(H,33,34)/b6-5+,12-7+/t26-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 110n/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Transactivation of human full length PPARgamma expressed in COS1 cells co-transfected with RXRalpha after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 20: 1060-75 (2012)


Article DOI: 10.1016/j.bmc.2011.11.035
BindingDB Entry DOI: 10.7270/Q2BC3ZZS
More data for this
Ligand-Target Pair