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BDBM61173 3'-(4-chlorophenyl)spiro[indane-2,2'-oxirane]-1,3-quinone::3'-(4-chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione::MLS000567016::SMR000177648::cid_3142215

SMILES: Clc1ccc(cc1)C1OC11C(=O)c2ccccc2C1=O

InChI Key: InChIKey=TXOAAFVHJAZXAJ-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 = 61173   
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-conjugating enzyme E2I


(Homo sapiens (Human))
BDBM61173
PNG
(3'-(4-chlorophenyl)spiro[indane-2,2'-oxirane]-1,3-...)
Show SMILES Clc1ccc(cc1)C1OC11C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9ClO3/c17-10-7-5-9(6-8-10)15-16(20-15)13(18)11-3-1-2-4-12(11)14(16)19/h1-8,15H
PDB
MMDB

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KEGG

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PC sid
UniChem

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PCBioAssay
n/an/a 7.05E+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
PPP5C protein


(Homo sapiens (Human))
BDBM61173
PNG
(3'-(4-chlorophenyl)spiro[indane-2,2'-oxirane]-1,3-...)
Show SMILES Clc1ccc(cc1)C1OC11C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9ClO3/c17-10-7-5-9(6-8-10)15-16(20-15)13(18)11-3-1-2-4-12(11)14(16)19/h1-8,15H
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.48E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23T9FN4
More data for this
Ligand-Target Pair
protein phosphatase 1, catalytic subunit, alpha isoform 3


(Homo sapiens (Human))
BDBM61173
PNG
(3'-(4-chlorophenyl)spiro[indane-2,2'-oxirane]-1,3-...)
Show SMILES Clc1ccc(cc1)C1OC11C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9ClO3/c17-10-7-5-9(6-8-10)15-16(20-15)13(18)11-3-1-2-4-12(11)14(16)19/h1-8,15H
PDB
MMDB

NCI pathway
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n/an/a 6.70E+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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27M06CD
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM61173
PNG
(3'-(4-chlorophenyl)spiro[indane-2,2'-oxirane]-1,3-...)
Show SMILES Clc1ccc(cc1)C1OC11C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9ClO3/c17-10-7-5-9(6-8-10)15-16(20-15)13(18)11-3-1-2-4-12(11)14(16)19/h1-8,15H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.13E+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, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair