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SMILES: COc1ccc(\C=C2\SC(=S)N(C2=O)c2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1

InChI Key: InChIKey=KGQKTBJTMCIXBV-SFQUDFHCSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50743   
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))
BDBM50743
PNG
(4-[(5E)-4-keto-5-p-anisylidene-2-thioxo-thiazolidi...)
Show SMILES COc1ccc(\C=C2\SC(=S)N(C2=O)c2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1
Show InChI InChI=1S/C20H15N3O4S4/c1-27-15-6-2-13(3-7-15)12-17-18(24)23(20(28)30-17)14-4-8-16(9-5-14)31(25,26)22-19-21-10-11-29-19/h2-12H,1H3,(H,21,22)/b17-12+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.98E+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
SUMO-activating enzyme subunit 1


(Homo sapiens (Human))
BDBM50743
PNG
(4-[(5E)-4-keto-5-p-anisylidene-2-thioxo-thiazolidi...)
Show SMILES COc1ccc(\C=C2\SC(=S)N(C2=O)c2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1
Show InChI InChI=1S/C20H15N3O4S4/c1-27-15-6-2-13(3-7-15)12-17-18(24)23(20(28)30-17)14-4-8-16(9-5-14)31(25,26)22-19-21-10-11-29-19/h2-12H,1H3,(H,21,22)/b17-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.90E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair
SUMO-conjugating enzyme UBC9


(Homo sapiens (Human))
BDBM50743
PNG
(4-[(5E)-4-keto-5-p-anisylidene-2-thioxo-thiazolidi...)
Show SMILES COc1ccc(\C=C2\SC(=S)N(C2=O)c2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1
Show InChI InChI=1S/C20H15N3O4S4/c1-27-15-6-2-13(3-7-15)12-17-18(24)23(20(28)30-17)14-4-8-16(9-5-14)31(25,26)22-19-21-10-11-29-19/h2-12H,1H3,(H,21,22)/b17-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.18E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2V986G8
More data for this
Ligand-Target Pair