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BDBM50373021 CHEMBL401616

SMILES: Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1

InChI Key: InChIKey=CKMOMMWDPGJJAW-GSXCWMCISA-N

Data: 6 EC50

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 6 hits for monomerid = 50373021   
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
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50373021
PNG
(CHEMBL401616)
Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1 |wU:10.10,13.18,wD:13.14,(-1.51,-1.54,;-2.82,-2.37,;-4.25,-1.83,;-5.21,-3.03,;-4.36,-4.31,;-2.87,-3.88,;-1.63,-4.81,;-.21,-4.2,;1.02,-5.13,;2.44,-4.52,;3.67,-5.44,;5,-4.66,;6.35,-5.44,;6.35,-6.99,;6.33,-8.53,;5,-7.76,;3.67,-6.99,;7.69,-6.24,;9.02,-7.02,;7.71,-4.69,;-6.75,-3.02,;-7.53,-4.36,;-9.06,-4.36,;-9.84,-3.03,;-9.06,-1.7,;-7.53,-1.7,)|
Show InChI InChI=1S/C20H25NO5/c1-14-17(21-18(26-14)16-9-4-3-5-10-16)11-7-6-8-15-12-24-20(2,19(22)23)25-13-15/h3-5,9-10,15H,6-8,11-13H2,1-2H3,(H,22,23)/t15-,20+
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n/an/an/an/a 300n/an/an/an/a



Nippon Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in monkey CV1 cells by transactivation assay


Bioorg Med Chem Lett 18: 2128-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50373021
PNG
(CHEMBL401616)
Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1 |wU:10.10,13.18,wD:13.14,(-1.51,-1.54,;-2.82,-2.37,;-4.25,-1.83,;-5.21,-3.03,;-4.36,-4.31,;-2.87,-3.88,;-1.63,-4.81,;-.21,-4.2,;1.02,-5.13,;2.44,-4.52,;3.67,-5.44,;5,-4.66,;6.35,-5.44,;6.35,-6.99,;6.33,-8.53,;5,-7.76,;3.67,-6.99,;7.69,-6.24,;9.02,-7.02,;7.71,-4.69,;-6.75,-3.02,;-7.53,-4.36,;-9.06,-4.36,;-9.84,-3.03,;-9.06,-1.7,;-7.53,-1.7,)|
Show InChI InChI=1S/C20H25NO5/c1-14-17(21-18(26-14)16-9-4-3-5-10-16)11-7-6-8-15-12-24-20(2,19(22)23)25-13-15/h3-5,9-10,15H,6-8,11-13H2,1-2H3,(H,22,23)/t15-,20+
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n/an/an/an/a 1.00E+5n/an/an/an/a



Nippon Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in monkey CV1 cells by transactivation assay


Bioorg Med Chem Lett 18: 2128-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50373021
PNG
(CHEMBL401616)
Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1 |wU:10.10,13.18,wD:13.14,(-1.51,-1.54,;-2.82,-2.37,;-4.25,-1.83,;-5.21,-3.03,;-4.36,-4.31,;-2.87,-3.88,;-1.63,-4.81,;-.21,-4.2,;1.02,-5.13,;2.44,-4.52,;3.67,-5.44,;5,-4.66,;6.35,-5.44,;6.35,-6.99,;6.33,-8.53,;5,-7.76,;3.67,-6.99,;7.69,-6.24,;9.02,-7.02,;7.71,-4.69,;-6.75,-3.02,;-7.53,-4.36,;-9.06,-4.36,;-9.84,-3.03,;-9.06,-1.7,;-7.53,-1.7,)|
Show InChI InChI=1S/C20H25NO5/c1-14-17(21-18(26-14)16-9-4-3-5-10-16)11-7-6-8-15-12-24-20(2,19(22)23)25-13-15/h3-5,9-10,15H,6-8,11-13H2,1-2H3,(H,22,23)/t15-,20+
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n/an/an/an/a 1.00E+3n/an/an/an/a



Nippon Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha expressed in CV1 cells by transactivation assay


Bioorg Med Chem 16: 981-94 (2008)


Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50373021
PNG
(CHEMBL401616)
Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1 |wU:10.10,13.18,wD:13.14,(-1.51,-1.54,;-2.82,-2.37,;-4.25,-1.83,;-5.21,-3.03,;-4.36,-4.31,;-2.87,-3.88,;-1.63,-4.81,;-.21,-4.2,;1.02,-5.13,;2.44,-4.52,;3.67,-5.44,;5,-4.66,;6.35,-5.44,;6.35,-6.99,;6.33,-8.53,;5,-7.76,;3.67,-6.99,;7.69,-6.24,;9.02,-7.02,;7.71,-4.69,;-6.75,-3.02,;-7.53,-4.36,;-9.06,-4.36,;-9.84,-3.03,;-9.06,-1.7,;-7.53,-1.7,)|
Show InChI InChI=1S/C20H25NO5/c1-14-17(21-18(26-14)16-9-4-3-5-10-16)11-7-6-8-15-12-24-20(2,19(22)23)25-13-15/h3-5,9-10,15H,6-8,11-13H2,1-2H3,(H,22,23)/t15-,20+
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PubMed
n/an/an/an/a 300n/an/an/an/a



Nippon Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in CV1 cells by transactivation assay


Bioorg Med Chem 16: 981-94 (2008)


Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50373021
PNG
(CHEMBL401616)
Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1 |wU:10.10,13.18,wD:13.14,(-1.51,-1.54,;-2.82,-2.37,;-4.25,-1.83,;-5.21,-3.03,;-4.36,-4.31,;-2.87,-3.88,;-1.63,-4.81,;-.21,-4.2,;1.02,-5.13,;2.44,-4.52,;3.67,-5.44,;5,-4.66,;6.35,-5.44,;6.35,-6.99,;6.33,-8.53,;5,-7.76,;3.67,-6.99,;7.69,-6.24,;9.02,-7.02,;7.71,-4.69,;-6.75,-3.02,;-7.53,-4.36,;-9.06,-4.36,;-9.84,-3.03,;-9.06,-1.7,;-7.53,-1.7,)|
Show InChI InChI=1S/C20H25NO5/c1-14-17(21-18(26-14)16-9-4-3-5-10-16)11-7-6-8-15-12-24-20(2,19(22)23)25-13-15/h3-5,9-10,15H,6-8,11-13H2,1-2H3,(H,22,23)/t15-,20+
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n/an/an/an/a 1.00E+5n/an/an/an/a



Nippon Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma expressed in CV1 cells by transactivation assay


Bioorg Med Chem 16: 981-94 (2008)


Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50373021
PNG
(CHEMBL401616)
Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccccc1 |wU:10.10,13.18,wD:13.14,(-1.51,-1.54,;-2.82,-2.37,;-4.25,-1.83,;-5.21,-3.03,;-4.36,-4.31,;-2.87,-3.88,;-1.63,-4.81,;-.21,-4.2,;1.02,-5.13,;2.44,-4.52,;3.67,-5.44,;5,-4.66,;6.35,-5.44,;6.35,-6.99,;6.33,-8.53,;5,-7.76,;3.67,-6.99,;7.69,-6.24,;9.02,-7.02,;7.71,-4.69,;-6.75,-3.02,;-7.53,-4.36,;-9.06,-4.36,;-9.84,-3.03,;-9.06,-1.7,;-7.53,-1.7,)|
Show InChI InChI=1S/C20H25NO5/c1-14-17(21-18(26-14)16-9-4-3-5-10-16)11-7-6-8-15-12-24-20(2,19(22)23)25-13-15/h3-5,9-10,15H,6-8,11-13H2,1-2H3,(H,22,23)/t15-,20+
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n/an/an/an/a 1.00E+3n/an/an/an/a



Nippon Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha by transactivation assay


Bioorg Med Chem Lett 18: 2128-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V
More data for this
Ligand-Target Pair