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SMILES: CC\C=C(/C)c1nc(CCOc2ccc3C[C@H](N(Cc3c2)C(=O)\C=C\C=C\C)C(O)=O)c(C)o1

InChI Key: InChIKey=FLZRZOXIWXGBOS-MGXYEQLBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50361300   
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))
BDBM50361300
PNG
(CHEMBL1935492)
Show SMILES CC\C=C(/C)c1nc(CCOc2ccc3C[C@H](N(Cc3c2)C(=O)\C=C\C=C\C)C(O)=O)c(C)o1 |r|
Show InChI InChI=1S/C27H32N2O5/c1-5-7-8-10-25(30)29-17-21-15-22(12-11-20(21)16-24(29)27(31)32)33-14-13-23-19(4)34-26(28-23)18(3)9-6-2/h5,7-12,15,24H,6,13-14,16-17H2,1-4H3,(H,31,32)/b7-5+,10-8+,18-9+/t24-/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 4.40E+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))
BDBM50361300
PNG
(CHEMBL1935492)
Show SMILES CC\C=C(/C)c1nc(CCOc2ccc3C[C@H](N(Cc3c2)C(=O)\C=C\C=C\C)C(O)=O)c(C)o1 |r|
Show InChI InChI=1S/C27H32N2O5/c1-5-7-8-10-25(30)29-17-21-15-22(12-11-20(21)16-24(29)27(31)32)33-14-13-23-19(4)34-26(28-23)18(3)9-6-2/h5,7-12,15,24H,6,13-14,16-17H2,1-4H3,(H,31,32)/b7-5+,10-8+,18-9+/t24-/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 120n/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