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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 55025   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Huntingtin


(Homo sapiens (Human))
BDBM55025
PNG
(Benzoic acid N'-[1-(2-cyclohex-1-enyl-ethyl)-4...)
Show SMILES O=C(NNC=C1C(=O)NC(=S)N(CCC2=CCCCC2)C1=O)c1ccccc1 |w:4.3,t:14|
Show InChI InChI=1S/C20H22N4O3S/c25-17(15-9-5-2-6-10-15)23-21-13-16-18(26)22-20(28)24(19(16)27)12-11-14-7-3-1-4-8-14/h2,5-7,9-10,13,21H,1,3-4,8,11-12H2,(H,23,25)(H,22,26,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.04E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2N58K09
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)
BDBM55025
PNG
(Benzoic acid N'-[1-(2-cyclohex-1-enyl-ethyl)-4...)
Show SMILES O=C(NNC=C1C(=O)NC(=S)N(CCC2=CCCCC2)C1=O)c1ccccc1 |w:4.3,t:14|
Show InChI InChI=1S/C20H22N4O3S/c25-17(15-9-5-2-6-10-15)23-21-13-16-18(26)22-20(28)24(19(16)27)12-11-14-7-3-1-4-8-14/h2,5-7,9-10,13,21H,1,3-4,8,11-12H2,(H,23,25)(H,22,26,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.41E+3n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
26S proteasome non-ATPase regulatory subunit 14


(Homo sapiens (Human))
BDBM55025
PNG
(Benzoic acid N'-[1-(2-cyclohex-1-enyl-ethyl)-4...)
Show SMILES O=C(NNC=C1C(=O)NC(=S)N(CCC2=CCCCC2)C1=O)c1ccccc1 |w:4.3,t:14|
Show InChI InChI=1S/C20H22N4O3S/c25-17(15-9-5-2-6-10-15)23-21-13-16-18(26)22-20(28)24(19(16)27)12-11-14-7-3-1-4-8-14/h2,5-7,9-10,13,21H,1,3-4,8,11-12H2,(H,23,25)(H,22,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.39E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM55025
PNG
(Benzoic acid N'-[1-(2-cyclohex-1-enyl-ethyl)-4...)
Show SMILES O=C(NNC=C1C(=O)NC(=S)N(CCC2=CCCCC2)C1=O)c1ccccc1 |w:4.3,t:14|
Show InChI InChI=1S/C20H22N4O3S/c25-17(15-9-5-2-6-10-15)23-21-13-16-18(26)22-20(28)24(19(16)27)12-11-14-7-3-1-4-8-14/h2,5-7,9-10,13,21H,1,3-4,8,11-12H2,(H,23,25)(H,22,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.22E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair