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BDBM47242 4-bromanyl-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid::4-bromo-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid::MLS000579904::SMR000199143::cid_975392

SMILES: Cc1cc(Br)c2nc3CCCCCc3c(C(O)=O)c2c1

InChI Key: InChIKey=SMLFVHZWGKWRSD-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 47242   
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
BZLF2


(Human herpesvirus 4 type 2)
BDBM47242
PNG
(4-bromanyl-2-methyl-7,8,9,10-tetrahydro-6H-cyclohe...)
Show SMILES Cc1cc(Br)c2nc3CCCCCc3c(C(O)=O)c2c1
Show InChI InChI=1S/C16H16BrNO2/c1-9-7-11-14(16(19)20)10-5-3-2-4-6-13(10)18-15(11)12(17)8-9/h7-8H,2-6H2,1H3,(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem

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PCBioAssay
n/an/a 5.40E+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: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
core protein


(Hepatitis C virus)
BDBM47242
PNG
(4-bromanyl-2-methyl-7,8,9,10-tetrahydro-6H-cyclohe...)
Show SMILES Cc1cc(Br)c2nc3CCCCCc3c(C(O)=O)c2c1
Show InChI InChI=1S/C16H16BrNO2/c1-9-7-11-14(16(19)20)10-5-3-2-4-6-13(10)18-15(11)12(17)8-9/h7-8H,2-6H2,1H3,(H,19,20)
UniProtKB/TrEMBL

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UniChem

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PCBioAssay
n/an/a>4.98E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens (Human))
BDBM47242
PNG
(4-bromanyl-2-methyl-7,8,9,10-tetrahydro-6H-cyclohe...)
Show SMILES Cc1cc(Br)c2nc3CCCCCc3c(C(O)=O)c2c1
Show InChI InChI=1S/C16H16BrNO2/c1-9-7-11-14(16(19)20)10-5-3-2-4-6-13(10)18-15(11)12(17)8-9/h7-8H,2-6H2,1H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
antibodypedia
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UniChem

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n/an/a 141n/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
nuclear receptor corepressor 2 isoform 2


(Homo sapiens (Human))
BDBM47242
PNG
(4-bromanyl-2-methyl-7,8,9,10-tetrahydro-6H-cyclohe...)
Show SMILES Cc1cc(Br)c2nc3CCCCCc3c(C(O)=O)c2c1
Show InChI InChI=1S/C16H16BrNO2/c1-9-7-11-14(16(19)20)10-5-3-2-4-6-13(10)18-15(11)12(17)8-9/h7-8H,2-6H2,1H3,(H,19,20)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
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PC cid
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UniChem

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PCBioAssay
n/an/a 604n/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28914BQ
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM47242
PNG
(4-bromanyl-2-methyl-7,8,9,10-tetrahydro-6H-cyclohe...)
Show SMILES Cc1cc(Br)c2nc3CCCCCc3c(C(O)=O)c2c1
Show InChI InChI=1S/C16H16BrNO2/c1-9-7-11-14(16(19)20)10-5-3-2-4-6-13(10)18-15(11)12(17)8-9/h7-8H,2-6H2,1H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem

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PCBioAssay
n/an/a 1.38E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair