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BDBM80085 10-(diiodomethylene)phenanthren-9-one::10-(diiodomethylidene)-9-phenanthrenone::10-(diiodomethylidene)phenanthren-9-one::10-[bis(iodanyl)methylidene]phenanthren-9-one::MLS002702485::SMR001566046::cid_400634

SMILES: I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12

InChI Key: InChIKey=XROGIZCTZXHJRQ-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 80085   
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
Beta-galactosidase


(Escherichia coli)
BDBM80085
PNG
(10-(diiodomethylene)phenanthren-9-one | 10-(diiodo...)
Show SMILES I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C15H8I2O/c16-15(17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)18/h1-8H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.66E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80085
PNG
(10-(diiodomethylene)phenanthren-9-one | 10-(diiodo...)
Show SMILES I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C15H8I2O/c16-15(17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)18/h1-8H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.77E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM80085
PNG
(10-(diiodomethylene)phenanthren-9-one | 10-(diiodo...)
Show SMILES I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C15H8I2O/c16-15(17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)18/h1-8H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 7.13E+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/Q2BZ64H1
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM80085
PNG
(10-(diiodomethylene)phenanthren-9-one | 10-(diiodo...)
Show SMILES I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C15H8I2O/c16-15(17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)18/h1-8H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.81E+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 (2011)


BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM80085
PNG
(10-(diiodomethylene)phenanthren-9-one | 10-(diiodo...)
Show SMILES I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C15H8I2O/c16-15(17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)18/h1-8H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.74E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM80085
PNG
(10-(diiodomethylene)phenanthren-9-one | 10-(diiodo...)
Show SMILES I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C15H8I2O/c16-15(17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)18/h1-8H
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.29E+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 (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM80085
PNG
(10-(diiodomethylene)phenanthren-9-one | 10-(diiodo...)
Show SMILES I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C15H8I2O/c16-15(17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)18/h1-8H
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2T15278
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM80085
PNG
(10-(diiodomethylene)phenanthren-9-one | 10-(diiodo...)
Show SMILES I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C15H8I2O/c16-15(17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)18/h1-8H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.74E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Phospholipase C-beta-3


(Homo sapiens (Human))
BDBM80085
PNG
(10-(diiodomethylene)phenanthren-9-one | 10-(diiodo...)
Show SMILES I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C15H8I2O/c16-15(17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)18/h1-8H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.22E+5n/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 Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2S46QKQ
More data for this
Ligand-Target Pair
Phospholipase C, gamma 1


(Homo sapiens (Human))
BDBM80085
PNG
(10-(diiodomethylene)phenanthren-9-one | 10-(diiodo...)
Show SMILES I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C15H8I2O/c16-15(17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)18/h1-8H
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.22E+5n/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 Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM80085
PNG
(10-(diiodomethylene)phenanthren-9-one | 10-(diiodo...)
Show SMILES I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C15H8I2O/c16-15(17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)18/h1-8H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>4.97E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2XS5T0R
More data for this
Ligand-Target Pair