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SMILES: Cc1c(\N=C2/C=CC(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C

InChI Key: InChIKey=BPCUUELBULRONU-RELWKKBWSA-N

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 = 33175   
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
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM33175
PNG
(1,5-dimethyl-4-[(4-oxidanylidenenaphthalen-1-ylide...)
Show SMILES Cc1c(\N=C2/C=CC(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C |c:5|
Show InChI InChI=1S/C21H17N3O2/c1-14-20(21(26)24(23(14)2)15-8-4-3-5-9-15)22-18-12-13-19(25)17-11-7-6-10-16(17)18/h3-13H,1-2H3/b22-18+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.35E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM33175
PNG
(1,5-dimethyl-4-[(4-oxidanylidenenaphthalen-1-ylide...)
Show SMILES Cc1c(\N=C2/C=CC(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C |c:5|
Show InChI InChI=1S/C21H17N3O2/c1-14-20(21(26)24(23(14)2)15-8-4-3-5-9-15)22-18-12-13-19(25)17-11-7-6-10-16(17)18/h3-13H,1-2H3/b22-18+
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KEGG

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UniChem
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n/an/a 4.64E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6


(Homo sapiens (Human))
BDBM33175
PNG
(1,5-dimethyl-4-[(4-oxidanylidenenaphthalen-1-ylide...)
Show SMILES Cc1c(\N=C2/C=CC(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C |c:5|
Show InChI InChI=1S/C21H17N3O2/c1-14-20(21(26)24(23(14)2)15-8-4-3-5-9-15)22-18-12-13-19(25)17-11-7-6-10-16(17)18/h3-13H,1-2H3/b22-18+
PDB

UniProtKB/SwissProt

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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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM33175
PNG
(1,5-dimethyl-4-[(4-oxidanylidenenaphthalen-1-ylide...)
Show SMILES Cc1c(\N=C2/C=CC(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C |c:5|
Show InChI InChI=1S/C21H17N3O2/c1-14-20(21(26)24(23(14)2)15-8-4-3-5-9-15)22-18-12-13-19(25)17-11-7-6-10-16(17)18/h3-13H,1-2H3/b22-18+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
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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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM33175
PNG
(1,5-dimethyl-4-[(4-oxidanylidenenaphthalen-1-ylide...)
Show SMILES Cc1c(\N=C2/C=CC(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C |c:5|
Show InChI InChI=1S/C21H17N3O2/c1-14-20(21(26)24(23(14)2)15-8-4-3-5-9-15)22-18-12-13-19(25)17-11-7-6-10-16(17)18/h3-13H,1-2H3/b22-18+
PDB

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n/an/a 1.21E+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/Q20C4T6J
More data for this
Ligand-Target Pair