BindingDB logo
myBDB logout

BDBM61015 3-(4-fluorophenyl)-7,8-dimethoxy-5-(phenylmethyl)pyrazolo[4,3-c]quinoline::5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxy-pyrazolo[4,3-c]quinoline::5-benzyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline::MLS000530082::SMR000127107::cid_2136878

SMILES: COc1cc2n(Cc3ccccc3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1

InChI Key: InChIKey=OGBSYIBKUOKZLS-UHFFFAOYSA-N

Data: 1 IC50  4 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 5 hits for monomerid = 61015   
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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61015
PNG
(3-(4-fluorophenyl)-7,8-dimethoxy-5-(phenylmethyl)p...)
Show SMILES COc1cc2n(Cc3ccccc3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1
Show InChI InChI=1S/C25H20FN3O2/c1-30-22-12-19-21(13-23(22)31-2)29(14-16-6-4-3-5-7-16)15-20-24(27-28-25(19)20)17-8-10-18(26)11-9-17/h3-13,15H,14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 921n/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/Q2GF0RZ3
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM61015
PNG
(3-(4-fluorophenyl)-7,8-dimethoxy-5-(phenylmethyl)p...)
Show SMILES COc1cc2n(Cc3ccccc3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1
Show InChI InChI=1S/C25H20FN3O2/c1-30-22-12-19-21(13-23(22)31-2)29(14-16-6-4-3-5-7-16)15-20-24(27-28-25(19)20)17-8-10-18(26)11-9-17/h3-13,15H,14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+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/Q2X34VX0
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM61015
PNG
(3-(4-fluorophenyl)-7,8-dimethoxy-5-(phenylmethyl)p...)
Show SMILES COc1cc2n(Cc3ccccc3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1
Show InChI InChI=1S/C25H20FN3O2/c1-30-22-12-19-21(13-23(22)31-2)29(14-16-6-4-3-5-7-16)15-20-24(27-28-25(19)20)17-8-10-18(26)11-9-17/h3-13,15H,14H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.90E+4n/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/Q2TB15DB
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM61015
PNG
(3-(4-fluorophenyl)-7,8-dimethoxy-5-(phenylmethyl)p...)
Show SMILES COc1cc2n(Cc3ccccc3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1
Show InChI InChI=1S/C25H20FN3O2/c1-30-22-12-19-21(13-23(22)31-2)29(14-16-6-4-3-5-7-16)15-20-24(27-28-25(19)20)17-8-10-18(26)11-9-17/h3-13,15H,14H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.90E+4n/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/Q2Z31X54
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM61015
PNG
(3-(4-fluorophenyl)-7,8-dimethoxy-5-(phenylmethyl)p...)
Show SMILES COc1cc2n(Cc3ccccc3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1
Show InChI InChI=1S/C25H20FN3O2/c1-30-22-12-19-21(13-23(22)31-2)29(14-16-6-4-3-5-7-16)15-20-24(27-28-25(19)20)17-8-10-18(26)11-9-17/h3-13,15H,14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.91E+3n/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/Q22N50RJ
More data for this
Ligand-Target Pair