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BDBM54754 3-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-2,4-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid::3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-2,4-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid::3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2,4-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid::3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2,4-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid::MLS000776136::SMR000371150::cid_5908804

SMILES: OC(=O)c1c2CCC(=Cc3ccc(O)cc3)c2nc2ccccc12

InChI Key: InChIKey=RLRNPHISVAQKAJ-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 54754   
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
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM54754
PNG
(3-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-2,4...)
Show SMILES OC(=O)c1c2CCC(=Cc3ccc(O)cc3)c2nc2ccccc12 |w:8.8|
Show InChI InChI=1S/C20H15NO3/c22-14-8-5-12(6-9-14)11-13-7-10-16-18(20(23)24)15-3-1-2-4-17(15)21-19(13)16/h1-6,8-9,11,22H,7,10H2,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.84E+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 (2009)


BindingDB Entry DOI: 10.7270/Q20P0XFH
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM54754
PNG
(3-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-2,4...)
Show SMILES OC(=O)c1c2CCC(=Cc3ccc(O)cc3)c2nc2ccccc12 |w:8.8|
Show InChI InChI=1S/C20H15NO3/c22-14-8-5-12(6-9-14)11-13-7-10-16-18(20(23)24)15-3-1-2-4-17(15)21-19(13)16/h1-6,8-9,11,22H,7,10H2,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 3.33E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2B56H72
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM54754
PNG
(3-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-2,4...)
Show SMILES OC(=O)c1c2CCC(=Cc3ccc(O)cc3)c2nc2ccccc12 |w:8.8|
Show InChI InChI=1S/C20H15NO3/c22-14-8-5-12(6-9-14)11-13-7-10-16-18(20(23)24)15-3-1-2-4-17(15)21-19(13)16/h1-6,8-9,11,22H,7,10H2,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.85E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair