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Target
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EC50
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-TΔS°
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 227.6
BDBM67905
Purchase
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
4
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
DNA damage-inducible transcript 3 protein
(Mus musculus)
BDBM67905
(5-chloranyl-2-phenyl-1H-indole | 5-chloro-2-phenyl...)
Show SMILES
Clc1ccc2[nH]c(cc2c1)-c1ccccc1
Show InChI
InChI=1S/C14H10ClN/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10/h1-9,16H
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Similars
PCBioAssay
n/a
n/a
710
n/a
n/a
n/a
n/a
n/a
n/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: Dr. Randal Kaufman, Univer...
PubChem Bioassay
(2010)
BindingDB Entry DOI:
10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein
(Mus musculus)
BDBM67905
(5-chloranyl-2-phenyl-1H-indole | 5-chloro-2-phenyl...)
Show SMILES
Clc1ccc2[nH]c(cc2c1)-c1ccccc1
Show InChI
InChI=1S/C14H10ClN/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10/h1-9,16H
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Similars
PCBioAssay
n/a
n/a
710
n/a
n/a
n/a
n/a
n/a
n/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: Dr. Randal Kaufman, Univer...
PubChem Bioassay
(2011)
BindingDB Entry DOI:
10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
X-box-binding protein 1
(Homo sapiens (Human))
BDBM67905
(5-chloranyl-2-phenyl-1H-indole | 5-chloro-2-phenyl...)
Show SMILES
Clc1ccc2[nH]c(cc2c1)-c1ccccc1
Show InChI
InChI=1S/C14H10ClN/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10/h1-9,16H
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Similars
PCBioAssay
n/a
n/a
1.00E+4
n/a
n/a
n/a
n/a
n/a
n/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: Dr. Randal Kaufman, Univer...
PubChem Bioassay
(2011)
BindingDB Entry DOI:
10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
Aromatase
(Homo sapiens (Human))
BDBM67905
(5-chloranyl-2-phenyl-1H-indole | 5-chloro-2-phenyl...)
Show SMILES
Clc1ccc2[nH]c(cc2c1)-c1ccccc1
Show InChI
InChI=1S/C14H10ClN/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10/h1-9,16H
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
2.28E+4
n/a
n/a
n/a
n/a
n/a
n/a
University of Hawai'i at Hilo
Curated by
ChEMBL
Assay Description
Inhibition of CYP19A1 (unknown origin) preincubated with NADPH followed by DBF substrate addition after 30 mins by fluorescence based assay
Bioorg Med Chem Lett
27:
5393
-
5399
(2017)
Article DOI:
10.1016/j.bmcl.2017.11.010
BindingDB Entry DOI:
10.7270/Q26W9DNB
More data for this
Ligand-Target Pair