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PubMed code 28244987

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/an/an/an/a7.530



California Institute of Technology



Assay Description
Fluorescence polarization assays were performed in low-volume 384-well solid black plates (Molecular Devices) in quadruplicate. The assays were perfo...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
BRISC complex


(Homo sapiens (Human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



California Institute of Technology



Assay Description
BRCC36 activity was measured using 1 nM purified BRISC complex and 80 nM di-ubiquitin substrate DiUbK63TAMRA (UF-310, Boston Biochem). TAMRA fluoresc...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM224013
PNG
(8-Mercaptoquinoline (8TQ))
Show SMILES Sc1cccc2cccnc12
Show InChI InChI=1S/C9H7NS/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/a7.530



California Institute of Technology



Assay Description
Fluorescence polarization assays were performed in low-volume 384-well solid black plates (Molecular Devices) in quadruplicate. The assays were perfo...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
STAM-binding protein (AMSH)


(Homo sapiens (Human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



California Institute of Technology



Assay Description
AMSH activity was measured using 10 nM purified AMSH (E-548B, Boston Biochem) and 80 nM di-ubiquitin substrate DiUbK63TAMRA (UF-310, Boston Biochem)....


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
COP9 signalosome complex subunit 5 (Csn5)


(Homo sapiens (Human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/a7.5n/a



California Institute of Technology



Assay Description
Csn5 activity was measured using purified CSN complex and the fluorescent substrate OGNedd8–SCFSkp2, in which a unique cysteine engineered into ...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
Glyoxalase 1 (GLO1)


(Homo sapiens (Human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.28E+4n/an/an/an/a7.025



California Institute of Technology



Assay Description
Assays were carried out in 100 mM sodium phosphate, pH 7.0 buffer using 96-well Clear UV Plate (Corning UV Transparent Microplates; catalog #3635). A...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/a7.537



California Institute of Technology



Assay Description
The assay was carried out in white NUNC 96-well plates as previously described [Puerta et al., J. Biol. Inorg. Chem., 11:131-138]. Each well containe...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/a8.025



California Institute of Technology



Assay Description
Assays were run in 50 mM HEPES (pH 8.0). A BioTek Synergy H4 microplate sample processor was used. The compounds were incubated with protein (final c...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/a7.537



California Institute of Technology



Assay Description
The assay was carried out in white NUNC 96-well plates as previously described [Puerta et al., J. Biol. Inorg. Chem., 11:131-138]. Each well containe...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM224012
PNG
(Capzimin)
Show SMILES Sc1cccc2cc(cnc12)C(=O)NCCc1nccs1
Show InChI InChI=1S/C15H13N3OS2/c19-15(17-5-4-13-16-6-7-21-13)11-8-10-2-1-3-12(20)14(10)18-9-11/h1-3,6-9,20H,4-5H2,(H,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/a8.037



California Institute of Technology



Assay Description
The enzyme was diluted with 25 mM Tris-Cl, 137 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 0.1 mg/ml BSA, pH 8.0 buffer and its activity was measured by using S...


Nat Chem Biol 13: 486-493 (2017)


Article DOI: 10.1038/nchembio.2326
BindingDB Entry DOI: 10.7270/Q24J0D0B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%