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SMILES: CCCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(SCc3ccco3)o1)C2=N

InChI Key: InChIKey=JKRNYSMGLKKINP-ULKQKBTCSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 48469   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM48469
PNG
((6E)-5-azanylidene-6-[[5-(furan-2-ylmethylsulfanyl...)
Show SMILES CCCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(SCc3ccco3)o1)C2=N |c:8,t:3|
Show InChI InChI=1S/C18H16N4O3S2/c1-2-4-14-21-22-16(19)13(17(23)20-18(22)27-14)9-11-6-7-15(25-11)26-10-12-5-3-8-24-12/h3,5-9,19H,2,4,10H2,1H3/b13-9+,19-16?
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.18E+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: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM48469
PNG
((6E)-5-azanylidene-6-[[5-(furan-2-ylmethylsulfanyl...)
Show SMILES CCCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(SCc3ccco3)o1)C2=N |c:8,t:3|
Show InChI InChI=1S/C18H16N4O3S2/c1-2-4-14-21-22-16(19)13(17(23)20-18(22)27-14)9-11-6-7-15(25-11)26-10-12-5-3-8-24-12/h3,5-9,19H,2,4,10H2,1H3/b13-9+,19-16?
PDB

UniProtKB/SwissProt

antibodypedia
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PCBioAssay
n/an/a 5.00E+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: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
26S proteasome non-ATPase regulatory subunit 14


(Homo sapiens (Human))
BDBM48469
PNG
((6E)-5-azanylidene-6-[[5-(furan-2-ylmethylsulfanyl...)
Show SMILES CCCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(SCc3ccco3)o1)C2=N |c:8,t:3|
Show InChI InChI=1S/C18H16N4O3S2/c1-2-4-14-21-22-16(19)13(17(23)20-18(22)27-14)9-11-6-7-15(25-11)26-10-12-5-3-8-24-12/h3,5-9,19H,2,4,10H2,1H3/b13-9+,19-16?
PDB

UniProtKB/SwissProt

antibodypedia
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PCBioAssay
n/an/a 1.37E+4n/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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM48469
PNG
((6E)-5-azanylidene-6-[[5-(furan-2-ylmethylsulfanyl...)
Show SMILES CCCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(SCc3ccco3)o1)C2=N |c:8,t:3|
Show InChI InChI=1S/C18H16N4O3S2/c1-2-4-14-21-22-16(19)13(17(23)20-18(22)27-14)9-11-6-7-15(25-11)26-10-12-5-3-8-24-12/h3,5-9,19H,2,4,10H2,1H3/b13-9+,19-16?
PDB

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PCBioAssay
n/an/a 2.28E+4n/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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM48469
PNG
((6E)-5-azanylidene-6-[[5-(furan-2-ylmethylsulfanyl...)
Show SMILES CCCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(SCc3ccco3)o1)C2=N |c:8,t:3|
Show InChI InChI=1S/C18H16N4O3S2/c1-2-4-14-21-22-16(19)13(17(23)20-18(22)27-14)9-11-6-7-15(25-11)26-10-12-5-3-8-24-12/h3,5-9,19H,2,4,10H2,1H3/b13-9+,19-16?
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.65E+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/Q2WD3Z0J
More data for this
Ligand-Target Pair