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BDBM51674 4-Butyl-6-chloro-8-diethylaminomethyl-7-hydroxy-chromen-2-one::4-butyl-6-chloranyl-8-(diethylaminomethyl)-7-oxidanyl-chromen-2-one::4-butyl-6-chloro-8-(diethylaminomethyl)-7-hydroxy-1-benzopyran-2-one::4-butyl-6-chloro-8-(diethylaminomethyl)-7-hydroxy-coumarin::4-butyl-6-chloro-8-(diethylaminomethyl)-7-hydroxychromen-2-one::MLS000551591::SMR000145516::cid_5541651

SMILES: CCCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12

InChI Key: InChIKey=UHNOHCDBXDQTMX-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 = 51674   
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
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM51674
PNG
(4-Butyl-6-chloro-8-diethylaminomethyl-7-hydroxy-ch...)
Show SMILES CCCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12
Show InChI InChI=1S/C18H24ClNO3/c1-4-7-8-12-9-16(21)23-18-13(12)10-15(19)17(22)14(18)11-20(5-2)6-3/h9-10,22H,4-8,11H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.16E+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
dTDP-4-dehydrorhamnose 3,5-epimerase RmlC


(Mycobacterium tuberculosis H37Rv)
BDBM51674
PNG
(4-Butyl-6-chloro-8-diethylaminomethyl-7-hydroxy-ch...)
Show SMILES CCCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12
Show InChI InChI=1S/C18H24ClNO3/c1-4-7-8-12-9-16(21)23-18-13(12)10-15(19)17(22)14(18)11-20(5-2)6-3/h9-10,22H,4-8,11H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 563n/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