BindingDB logo
myBDB logout

null

SMILES: CCOC(=O)c1c(N)n(CCN2CCCCC2)c2nc3ccccc3nc12

InChI Key: InChIKey=FCFLOFDGZFDZFZ-UHFFFAOYSA-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 3 hits for monomerid = 51528   
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
dTDP-4-dehydrorhamnose 3,5-epimerase


(Mycobacterium tuberculosis H37Rv)
BDBM51528
PNG
(2-amino-1-(2-piperidinoethyl)pyrrolo[3,2-b]quinoxa...)
Show SMILES CCOC(=O)c1c(N)n(CCN2CCCCC2)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H25N5O2/c1-2-27-20(26)16-17-19(23-15-9-5-4-8-14(15)22-17)25(18(16)21)13-12-24-10-6-3-7-11-24/h4-5,8-9H,2-3,6-7,10-13,21H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.21E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TD9VRT
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM51528
PNG
(2-amino-1-(2-piperidinoethyl)pyrrolo[3,2-b]quinoxa...)
Show SMILES CCOC(=O)c1c(N)n(CCN2CCCCC2)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H25N5O2/c1-2-27-20(26)16-17-19(23-15-9-5-4-8-14(15)22-17)25(18(16)21)13-12-24-10-6-3-7-11-24/h4-5,8-9H,2-3,6-7,10-13,21H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.62E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Importin subunit alpha-1


(Homo sapiens (Human))
BDBM51528
PNG
(2-amino-1-(2-piperidinoethyl)pyrrolo[3,2-b]quinoxa...)
Show SMILES CCOC(=O)c1c(N)n(CCN2CCCCC2)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H25N5O2/c1-2-27-20(26)16-17-19(23-15-9-5-4-8-14(15)22-17)25(18(16)21)13-12-24-10-6-3-7-11-24/h4-5,8-9H,2-3,6-7,10-13,21H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.49E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair