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BDBM50264515 CHEMBL4070821

SMILES: O=C(Nc1nccs1)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)Nc3nccs3)cccc2c1

InChI Key: InChIKey=IXVAQLGAEXIKGT-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50264515   
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
COP9 signalosome complex subunit 5 (Csn5)


(Homo sapiens (Human))
BDBM50264515
PNG
(CHEMBL4070821)
Show SMILES O=C(Nc1nccs1)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)Nc3nccs3)cccc2c1
Show InChI InChI=1S/C26H16N6O2S4/c33-23(31-25-27-7-9-35-25)17-11-15-3-1-5-19(21(15)29-13-17)37-38-20-6-2-4-16-12-18(14-30-22(16)20)24(34)32-26-28-8-10-36-26/h1-14H,(H,27,31,33)(H,28,32,34)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+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
STAM-binding protein (AMSH)


(Homo sapiens (Human))
BDBM50264515
PNG
(CHEMBL4070821)
Show SMILES O=C(Nc1nccs1)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)Nc3nccs3)cccc2c1
Show InChI InChI=1S/C26H16N6O2S4/c33-23(31-25-27-7-9-35-25)17-11-15-3-1-5-19(21(15)29-13-17)37-38-20-6-2-4-16-12-18(14-30-22(16)20)24(34)32-26-28-8-10-36-26/h1-14H,(H,27,31,33)(H,28,32,34)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70E+3n/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
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM50264515
PNG
(CHEMBL4070821)
Show SMILES O=C(Nc1nccs1)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)Nc3nccs3)cccc2c1
Show InChI InChI=1S/C26H16N6O2S4/c33-23(31-25-27-7-9-35-25)17-11-15-3-1-5-19(21(15)29-13-17)37-38-20-6-2-4-16-12-18(14-30-22(16)20)24(34)32-26-28-8-10-36-26/h1-14H,(H,27,31,33)(H,28,32,34)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/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 regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM50264515
PNG
(CHEMBL4070821)
Show SMILES O=C(Nc1nccs1)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)Nc3nccs3)cccc2c1
Show InChI InChI=1S/C26H16N6O2S4/c33-23(31-25-27-7-9-35-25)17-11-15-3-1-5-19(21(15)29-13-17)37-38-20-6-2-4-16-12-18(14-30-22(16)20)24(34)32-26-28-8-10-36-26/h1-14H,(H,27,31,33)(H,28,32,34)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/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