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BDBM54719 MLS000078501::SMR000041678::cid_660904

SMILES: Cc1cccc(c1)-n1cnc2n(Cc3ccco3)c3nc4ccccc4nc3c2c1=O

InChI Key: InChIKey=DUTNQEVLPMRTHE-UHFFFAOYSA-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 = 54719   
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
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM54719
PNG
(MLS000078501 | SMR000041678 | cid_660904)
Show SMILES Cc1cccc(c1)-n1cnc2n(Cc3ccco3)c3nc4ccccc4nc3c2c1=O
Show InChI InChI=1S/C24H17N5O2/c1-15-6-4-7-16(12-15)29-14-25-22-20(24(29)30)21-23(28(22)13-17-8-5-11-31-17)27-19-10-3-2-9-18(19)26-21/h2-12,14H,13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.16E+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
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM54719
PNG
(MLS000078501 | SMR000041678 | cid_660904)
Show SMILES Cc1cccc(c1)-n1cnc2n(Cc3ccco3)c3nc4ccccc4nc3c2c1=O
Show InChI InChI=1S/C24H17N5O2/c1-15-6-4-7-16(12-15)29-14-25-22-20(24(29)30)21-23(28(22)13-17-8-5-11-31-17)27-19-10-3-2-9-18(19)26-21/h2-12,14H,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 871n/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