BindingDB logo
myBDB logout

BDBM88971 (2E)-2-[(2Z)-2-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-quinazolin-4-one::(2E)-2-[(2Z)-2-(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-quinazolin-4-one::(2E)-2-[(2Z)-2-(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-1H-quinazolin-4-one::(2E)-2-[(2Z)-2-(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-quinazolin-4-one::MLS001176873::SMR000592644::cid_24762098

SMILES: COc1cc(C=Cc2nc3ccccc3c(=O)[nH]2)cc(Br)c1O

InChI Key: InChIKey=YXJCCBPUJNOIPM-VOTSOKGWSA-N

Data: 2 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 2 hits for monomerid = 88971   
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
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM88971
PNG
((2E)-2-[(2Z)-2-(3-bromanyl-5-methoxy-4-oxidanylide...)
Show SMILES COc1cc(C=Cc2nc3ccccc3c(=O)[nH]2)cc(Br)c1O
Show InChI InChI=1S/C17H13BrN2O3/c1-23-14-9-10(8-12(18)16(14)21)6-7-15-19-13-5-3-2-4-11(13)17(22)20-15/h2-9,21H,1H3,(H,19,20,22)/b7-6+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 914n/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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM88971
PNG
((2E)-2-[(2Z)-2-(3-bromanyl-5-methoxy-4-oxidanylide...)
Show SMILES COc1cc(C=Cc2nc3ccccc3c(=O)[nH]2)cc(Br)c1O
Show InChI InChI=1S/C17H13BrN2O3/c1-23-14-9-10(8-12(18)16(14)21)6-7-15-19-13-5-3-2-4-11(13)17(22)20-15/h2-9,21H,1H3,(H,19,20,22)/b7-6+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 8.80E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair