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BDBM50436152 SPONGIACIDIN C

SMILES: O=C1NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]ccc12

InChI Key: InChIKey=MOYLWFAZPQYOGQ-VURMDHGXSA-N

Data: 7 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 7 hits for monomerid = 50436152   
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
Sentrin-specific protease 1 (SENP1)


(Homo sapiens (Human))
BDBM50436152
PNG
(SPONGIACIDIN C)
Show SMILES O=C1NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H10N4O3/c16-9-7-5(1-3-12-7)6(2-4-13-9)8-10(17)15-11(18)14-8/h1,3,12H,2,4H2,(H,13,16)(H2,14,15,17,18)/b8-6-
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n/an/a>3.16E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of core catalytic domain of SENP1 (unknown origin) using SUMO3-EKL as substrate


Bioorg Med Chem Lett 23: 3884-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.066
BindingDB Entry DOI: 10.7270/Q29P332K
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 21


(Homo sapiens (Human))
BDBM50436152
PNG
(SPONGIACIDIN C)
Show SMILES O=C1NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H10N4O3/c16-9-7-5(1-3-12-7)6(2-4-13-9)8-10(17)15-11(18)14-8/h1,3,12H,2,4H2,(H,13,16)(H2,14,15,17,18)/b8-6-
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/a 1.66E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of core catalytic domain of USP21 (unknown origin) using ubiquitin-Rh110 as substrate


Bioorg Med Chem Lett 23: 3884-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.066
BindingDB Entry DOI: 10.7270/Q29P332K
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 8


(Homo sapiens (Human))
BDBM50436152
PNG
(SPONGIACIDIN C)
Show SMILES O=C1NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H10N4O3/c16-9-7-5(1-3-12-7)6(2-4-13-9)8-10(17)15-11(18)14-8/h1,3,12H,2,4H2,(H,13,16)(H2,14,15,17,18)/b8-6-
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n/an/a>3.16E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of core catalytic domain of USP8 (unknown origin) using ubiquitin-Rh110 as substrate


Bioorg Med Chem Lett 23: 3884-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.066
BindingDB Entry DOI: 10.7270/Q29P332K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50436152
PNG
(SPONGIACIDIN C)
Show SMILES O=C1NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H10N4O3/c16-9-7-5(1-3-12-7)6(2-4-13-9)8-10(17)15-11(18)14-8/h1,3,12H,2,4H2,(H,13,16)(H2,14,15,17,18)/b8-6-
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n/an/a>2.03E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Nat Prod 61: 693-5 (1998)


Article DOI: 10.1021/np970565h
BindingDB Entry DOI: 10.7270/Q21C20N0
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50436152
PNG
(SPONGIACIDIN C)
Show SMILES O=C1NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H10N4O3/c16-9-7-5(1-3-12-7)6(2-4-13-9)8-10(17)15-11(18)14-8/h1,3,12H,2,4H2,(H,13,16)(H2,14,15,17,18)/b8-6-
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PC sid
UniChem
Article
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n/an/a 3.80E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) using ubiquitin-EKL as substrate


Bioorg Med Chem Lett 23: 3884-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.066
BindingDB Entry DOI: 10.7270/Q29P332K
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50436152
PNG
(SPONGIACIDIN C)
Show SMILES O=C1NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H10N4O3/c16-9-7-5(1-3-12-7)6(2-4-13-9)8-10(17)15-11(18)14-8/h1,3,12H,2,4H2,(H,13,16)(H2,14,15,17,18)/b8-6-
PDB
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UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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n/an/a>2.03E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of c-erbB-2


J Nat Prod 61: 693-5 (1998)


Article DOI: 10.1021/np970565h
BindingDB Entry DOI: 10.7270/Q21C20N0
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens (Human))
BDBM50436152
PNG
(SPONGIACIDIN C)
Show SMILES O=C1NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H10N4O3/c16-9-7-5(1-3-12-7)6(2-4-13-9)8-10(17)15-11(18)14-8/h1,3,12H,2,4H2,(H,13,16)(H2,14,15,17,18)/b8-6-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.16E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of core catalytic domain of USP2 (unknown origin) using diubiquitin IQF K4804 as substrate


Bioorg Med Chem Lett 23: 3884-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.066
BindingDB Entry DOI: 10.7270/Q29P332K
More data for this
Ligand-Target Pair