BindingDB logo
myBDB logout

BDBM58899 (3-acetylphenyl) 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate::(3-ethanoylphenyl) 9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate::9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (3-acetylphenyl) ester::9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid (3-acetylphenyl) ester::MLS001070882::SMR000705557::cid_24978819

SMILES: CC(=O)c1cccc(OC(=O)c2ccc3c(c2)nc2CCCn2c3=O)c1

InChI Key: InChIKey=DOYVHBNLAOZZFC-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 = 58899   
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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58899
PNG
((3-acetylphenyl) 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-...)
Show SMILES CC(=O)c1cccc(OC(=O)c2ccc3c(c2)nc2CCCn2c3=O)c1
Show InChI InChI=1S/C20H16N2O4/c1-12(23)13-4-2-5-15(10-13)26-20(25)14-7-8-16-17(11-14)21-18-6-3-9-22(18)19(16)24/h2,4-5,7-8,10-11H,3,6,9H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM58899
PNG
((3-acetylphenyl) 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-...)
Show SMILES CC(=O)c1cccc(OC(=O)c2ccc3c(c2)nc2CCCn2c3=O)c1
Show InChI InChI=1S/C20H16N2O4/c1-12(23)13-4-2-5-15(10-13)26-20(25)14-7-8-16-17(11-14)21-18-6-3-9-22(18)19(16)24/h2,4-5,7-8,10-11H,3,6,9H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.35E+3n/an/an/an/an/a25



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/Q2862DX0
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM58899
PNG
((3-acetylphenyl) 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-...)
Show SMILES CC(=O)c1cccc(OC(=O)c2ccc3c(c2)nc2CCCn2c3=O)c1
Show InChI InChI=1S/C20H16N2O4/c1-12(23)13-4-2-5-15(10-13)26-20(25)14-7-8-16-17(11-14)21-18-6-3-9-22(18)19(16)24/h2,4-5,7-8,10-11H,3,6,9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.27E+3n/an/an/an/an/a25



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/Q24F1P6P
More data for this
Ligand-Target Pair