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BDBM50539514 CHEMBL4649683

SMILES: C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O

InChI Key: InChIKey=GYNMVDMBFKGCCR-QGZVFWFLSA-N

Data: 1 IC50

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 8 hits for monomerid = 50539514   
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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50539514
PNG
(CHEMBL4649683)
Show SMILES C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O |r|
Show InChI InChI=1S/C25H27F3N2O4/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)34-25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1
KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Mitobridge, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by semi-automatic patch clamp assay


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50539514
PNG
(CHEMBL4649683)
Show SMILES C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O |r|
Show InChI InChI=1S/C25H27F3N2O4/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)34-25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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MCE
PC cid
PC sid
UniChem
n/an/an/an/a 0.400n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50539514
PNG
(CHEMBL4649683)
Show SMILES C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O |r|
Show InChI InChI=1S/C25H27F3N2O4/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)34-25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
n/an/an/an/a 6.90E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50539514
PNG
(CHEMBL4649683)
Show SMILES C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O |r|
Show InChI InChI=1S/C25H27F3N2O4/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)34-25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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MCE
PC cid
PC sid
UniChem
n/an/an/an/a>1.00E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50539514
PNG
(CHEMBL4649683)
Show SMILES C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O |r|
Show InChI InChI=1S/C25H27F3N2O4/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)34-25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1
PDB
MMDB

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MCE
PC cid
PC sid
UniChem
n/an/an/an/a 7.90n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Androgen receptor/Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50539514
PNG
(CHEMBL4649683)
Show SMILES C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O |r|
Show InChI InChI=1S/C25H27F3N2O4/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)34-25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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MCE
PC cid
PC sid
UniChem
n/an/an/an/a>1.00E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50539514
PNG
(CHEMBL4649683)
Show SMILES C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O |r|
Show InChI InChI=1S/C25H27F3N2O4/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)34-25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
n/an/an/an/a>1.00E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50539514
PNG
(CHEMBL4649683)
Show SMILES C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O |r|
Show InChI InChI=1S/C25H27F3N2O4/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)34-25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
n/an/an/an/a>1.00E+4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair