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3 similar compounds to monomer 77761

Compile data set for download or QSAR
Wt: 337.3
BDBM78286
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Wt: 271.3
BDBM79420
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Wt: 377.3
BDBM114477
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 78286,79420,114477   
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
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM78286
PNG
(MLS000687405 | SMR000285099 | cid_1636748)
Show SMILES CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccco4)cc1c23
Show InChI InChI=1S/C19H15NO5/c1-10-9-19(2,3)20-15-12(10)7-11(8-13(15)16(21)17(20)22)25-18(23)14-5-4-6-24-14/h4-9H,1-3H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.34E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens (Human))
BDBM114477
PNG
(3-Methoxy-benzoic acid 4,4,6-trimethyl-1,2-dioxo-1...)
Show SMILES COc1cccc(c1)C(=O)Oc1cc2C(=O)C(=O)N3c2c(c1)C(C)=CC3(C)C
Show InChI InChI=1S/C22H19NO5/c1-12-11-22(2,3)23-18-16(12)9-15(10-17(18)19(24)20(23)25)28-21(26)13-6-5-7-14(8-13)27-4/h5-11H,1-4H3
KEGG

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.32E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GCW
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens (Human))
BDBM79420
PNG
(MLS000710233 | SMR000287400 | cid_1999089)
Show SMILES CCOc1cc2C(=O)C(=O)N3c2c(c1)C(C)=CC3(C)C
Show InChI InChI=1S/C16H17NO3/c1-5-20-10-6-11-9(2)8-16(3,4)17-13(11)12(7-10)14(18)15(17)19/h6-8H,5H2,1-4H3
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2D21W3H
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens (Human))
BDBM79420
PNG
(MLS000710233 | SMR000287400 | cid_1999089)
Show SMILES CCOc1cc2C(=O)C(=O)N3c2c(c1)C(C)=CC3(C)C
Show InChI InChI=1S/C16H17NO3/c1-5-20-10-6-11-9(2)8-16(3,4)17-13(11)12(7-10)14(18)15(17)19/h6-8H,5H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.53E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2HT2MS2
More data for this
Ligand-Target Pair