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SMILES: CCC1(CC)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O

InChI Key: InChIKey=FECCIQFGKNBYBM-UHFFFAOYSA-N

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 = 40005   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM40005
PNG
(2-[2-[4,4-diethyl-2,5-bis(oxidanylidene)imidazolid...)
Show SMILES CCC1(CC)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
Show InChI InChI=1S/C17H22N4O4S/c1-3-17(4-2)15(24)21(16(25)20-17)8-11(22)19-14-12(13(18)23)9-6-5-7-10(9)26-14/h3-8H2,1-2H3,(H2,18,23)(H,19,22)(H,20,25)
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem

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PCBioAssay
n/an/a<1.56E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1


(Homo sapiens (Human))
BDBM40005
PNG
(2-[2-[4,4-diethyl-2,5-bis(oxidanylidene)imidazolid...)
Show SMILES CCC1(CC)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
Show InChI InChI=1S/C17H22N4O4S/c1-3-17(4-2)15(24)21(16(25)20-17)8-11(22)19-14-12(13(18)23)9-6-5-7-10(9)26-14/h3-8H2,1-2H3,(H2,18,23)(H,19,22)(H,20,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PCBioAssay
n/an/a 3.98E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Core protein


(Hepatitis C virus)
BDBM40005
PNG
(2-[2-[4,4-diethyl-2,5-bis(oxidanylidene)imidazolid...)
Show SMILES CCC1(CC)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
Show InChI InChI=1S/C17H22N4O4S/c1-3-17(4-2)15(24)21(16(25)20-17)8-11(22)19-14-12(13(18)23)9-6-5-7-10(9)26-14/h3-8H2,1-2H3,(H2,18,23)(H,19,22)(H,20,25)
UniProtKB/TrEMBL

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n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair
Glycoprotein 42


(Human herpesvirus 4 type 2)
BDBM40005
PNG
(2-[2-[4,4-diethyl-2,5-bis(oxidanylidene)imidazolid...)
Show SMILES CCC1(CC)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
Show InChI InChI=1S/C17H22N4O4S/c1-3-17(4-2)15(24)21(16(25)20-17)8-11(22)19-14-12(13(18)23)9-6-5-7-10(9)26-14/h3-8H2,1-2H3,(H2,18,23)(H,19,22)(H,20,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 5.40E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair