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BDBM51577 6-chloranyl-8-(diethylaminomethyl)-3-ethyl-4-methyl-7-oxidanyl-chromen-2-one::6-chloro-8-(diethylaminomethyl)-3-ethyl-7-hydroxy-4-methyl-1-benzopyran-2-one::6-chloro-8-(diethylaminomethyl)-3-ethyl-7-hydroxy-4-methyl-coumarin::6-chloro-8-(diethylaminomethyl)-3-ethyl-7-hydroxy-4-methylchromen-2-one::6-chloro-8-[(diethylamino)methyl]-3-ethyl-7-hydroxy-4-methyl-2H-chromen-2-one::MLS000050164::SMR000077278::cid_5740001

SMILES: CCN(CC)Cc1c(O)c(Cl)cc2c(C)c(CC)c(=O)oc12

InChI Key: InChIKey=ZXSFSVATRKBBMJ-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 = 51577   
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 RmlC


(Mycobacterium tuberculosis H37Rv)
BDBM51577
PNG
(6-chloranyl-8-(diethylaminomethyl)-3-ethyl-4-methy...)
Show SMILES CCN(CC)Cc1c(O)c(Cl)cc2c(C)c(CC)c(=O)oc12
Show InChI InChI=1S/C17H22ClNO3/c1-5-11-10(4)12-8-14(18)15(20)13(9-19(6-2)7-3)16(12)22-17(11)21/h8,20H,5-7,9H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 294n/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
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM51577
PNG
(6-chloranyl-8-(diethylaminomethyl)-3-ethyl-4-methy...)
Show SMILES CCN(CC)Cc1c(O)c(Cl)cc2c(C)c(CC)c(=O)oc12
Show InChI InChI=1S/C17H22ClNO3/c1-5-11-10(4)12-8-14(18)15(20)13(9-19(6-2)7-3)16(12)22-17(11)21/h8,20H,5-7,9H2,1-4H3
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 2.65E+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))
BDBM51577
PNG
(6-chloranyl-8-(diethylaminomethyl)-3-ethyl-4-methy...)
Show SMILES CCN(CC)Cc1c(O)c(Cl)cc2c(C)c(CC)c(=O)oc12
Show InChI InChI=1S/C17H22ClNO3/c1-5-11-10(4)12-8-14(18)15(20)13(9-19(6-2)7-3)16(12)22-17(11)21/h8,20H,5-7,9H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.46E+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