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SMILES: Fc1ccc(CNC(=O)c2cnc3c(SSc4cccc5cc(cnc45)C(=O)NCc4ccc(F)cc4)cccc3c2)cc1

InChI Key: InChIKey=BDPASXNXAYPLTI-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50264457   
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
STAM-binding protein


(Homo sapiens (Human))
BDBM50264457
PNG
(CHEMBL4080490)
Show SMILES Fc1ccc(CNC(=O)c2cnc3c(SSc4cccc5cc(cnc45)C(=O)NCc4ccc(F)cc4)cccc3c2)cc1
Show InChI InChI=1S/C34H24F2N4O2S2/c35-27-11-7-21(8-12-27)17-39-33(41)25-15-23-3-1-5-29(31(23)37-19-25)43-44-30-6-2-4-24-16-26(20-38-32(24)30)34(42)40-18-22-9-13-28(36)14-10-22/h1-16,19-20H,17-18H2,(H,39,41)(H,40,42)
PDB

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of AMSH (unknown origin) using DiUbK63TAMRA as substrate by fluorescence assay


J Med Chem 60: 1343-1361 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01379
BindingDB Entry DOI: 10.7270/Q22F7QX5
More data for this
Ligand-Target Pair
COP9 signalosome complex subunit 5


(Homo sapiens (Human))
BDBM50264457
PNG
(CHEMBL4080490)
Show SMILES Fc1ccc(CNC(=O)c2cnc3c(SSc4cccc5cc(cnc45)C(=O)NCc4ccc(F)cc4)cccc3c2)cc1
Show InChI InChI=1S/C34H24F2N4O2S2/c35-27-11-7-21(8-12-27)17-39-33(41)25-15-23-3-1-5-29(31(23)37-19-25)43-44-30-6-2-4-24-16-26(20-38-32(24)30)34(42)40-18-22-9-13-28(36)14-10-22/h1-16,19-20H,17-18H2,(H,39,41)(H,40,42)
PDB

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of CSN5 (unknown origin) using SCFskp2-Nedd8OG as substrate after 1 hr by fluorescence polarization assay


J Med Chem 60: 1343-1361 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01379
BindingDB Entry DOI: 10.7270/Q22F7QX5
More data for this
Ligand-Target Pair
26S proteasome non-ATPase regulatory subunit 14


(Homo sapiens (Human))
BDBM50264457
PNG
(CHEMBL4080490)
Show SMILES Fc1ccc(CNC(=O)c2cnc3c(SSc4cccc5cc(cnc45)C(=O)NCc4ccc(F)cc4)cccc3c2)cc1
Show InChI InChI=1S/C34H24F2N4O2S2/c35-27-11-7-21(8-12-27)17-39-33(41)25-15-23-3-1-5-29(31(23)37-19-25)43-44-30-6-2-4-24-16-26(20-38-32(24)30)34(42)40-18-22-9-13-28(36)14-10-22/h1-16,19-20H,17-18H2,(H,39,41)(H,40,42)
PDB

UniProtKB/SwissProt

antibodypedia
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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a<200n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of 26S proteasome regulatory subunit RPN11 deubiquitinating activity in human erythrocytes using Ub4-pepOG protein substrate preincubated ...


J Med Chem 60: 1343-1361 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01379
BindingDB Entry DOI: 10.7270/Q22F7QX5
More data for this
Ligand-Target Pair
26S proteasome non-ATPase regulatory subunit 14


(Homo sapiens (Human))
BDBM50264457
PNG
(CHEMBL4080490)
Show SMILES Fc1ccc(CNC(=O)c2cnc3c(SSc4cccc5cc(cnc45)C(=O)NCc4ccc(F)cc4)cccc3c2)cc1
Show InChI InChI=1S/C34H24F2N4O2S2/c35-27-11-7-21(8-12-27)17-39-33(41)25-15-23-3-1-5-29(31(23)37-19-25)43-44-30-6-2-4-24-16-26(20-38-32(24)30)34(42)40-18-22-9-13-28(36)14-10-22/h1-16,19-20H,17-18H2,(H,39,41)(H,40,42)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of 26S proteasome regulatory subunit RPN11 deubiquitinating activity in beta5 inhibitor MG132 pretreated human HeLa cells expressing UbG76...


J Med Chem 60: 1343-1361 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01379
BindingDB Entry DOI: 10.7270/Q22F7QX5
More data for this
Ligand-Target Pair