BindingDB logo
myBDB logout

BDBM54113 6-Chloro-8-diethylaminomethyl-7-hydroxy-4-propyl-chromen-2-one::6-chloranyl-8-(diethylaminomethyl)-7-oxidanyl-4-propyl-chromen-2-one::6-chloro-8-(diethylaminomethyl)-7-hydroxy-4-propyl-1-benzopyran-2-one::6-chloro-8-(diethylaminomethyl)-7-hydroxy-4-propyl-coumarin::6-chloro-8-(diethylaminomethyl)-7-hydroxy-4-propylchromen-2-one::MLS001043280::SMR000415060::cid_5422815

SMILES: CCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12

InChI Key: InChIKey=GKHAULKKQBSAIH-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 54113   
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
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM54113
PNG
(6-Chloro-8-diethylaminomethyl-7-hydroxy-4-propyl-c...)
Show SMILES CCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12
Show InChI InChI=1S/C17H22ClNO3/c1-4-7-11-8-15(20)22-17-12(11)9-14(18)16(21)13(17)10-19(5-2)6-3/h8-9,21H,4-7,10H2,1-3H3
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 5.67E+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
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM54113
PNG
(6-Chloro-8-diethylaminomethyl-7-hydroxy-4-propyl-c...)
Show SMILES CCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12
Show InChI InChI=1S/C17H22ClNO3/c1-4-7-11-8-15(20)22-17-12(11)9-14(18)16(21)13(17)10-19(5-2)6-3/h8-9,21H,4-7,10H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.70E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair