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BDBM50069762 CHEMBL3182437::ML323

SMILES: CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1

InChI Key: InChIKey=VUIRVWPJNKZOSS-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 = 50069762   
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
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens)
BDBM50069762
PNG
(CHEMBL3182437 | ML323)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a>1.14E+5n/an/an/an/an/an/a



University of Delaware



Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...


ACS Chem Biol 12: 2399-2407 (2017)


Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 1


(Homo sapiens)
BDBM50069762
PNG
(CHEMBL3182437 | ML323)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of USP1 (unknown origin) by Ub-Rho110 assay


J Med Chem 58: 1581-95 (2015)


Article DOI: 10.1021/jm501061a
BindingDB Entry DOI: 10.7270/Q29025GH
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L5


(Homo sapiens)
BDBM50069762
PNG
(CHEMBL3182437 | ML323)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.14E+5n/an/an/an/an/an/a



University of Delaware



Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...


ACS Chem Biol 12: 2399-2407 (2017)


Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD
More data for this
Ligand-Target Pair
Ubiquitin C-terminal Hydrolase L3 (UCH-L3)


(Homo sapiens (human))
BDBM50069762
PNG
(CHEMBL3182437 | ML323)
Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1
Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.14E+5n/an/an/an/an/an/a



University of Delaware



Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff...


ACS Chem Biol 12: 2399-2407 (2017)


Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD
More data for this
Ligand-Target Pair