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BDBM51581 4-butyl-6-chloranyl-7-oxidanyl-8-(pyrrolidin-1-ylmethyl)chromen-2-one::4-butyl-6-chloro-7-hydroxy-8-(1-pyrrolidinylmethyl)-1-benzopyran-2-one::4-butyl-6-chloro-7-hydroxy-8-(1-pyrrolidinylmethyl)-2H-chromen-2-one::4-butyl-6-chloro-7-hydroxy-8-(pyrrolidin-1-ylmethyl)chromen-2-one::4-butyl-6-chloro-7-hydroxy-8-(pyrrolidinomethyl)coumarin::MLS000097226::SMR000076840::cid_5622697

SMILES: CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12

InChI Key: InChIKey=BVATZHAEXPQYGE-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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 51581   
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))
BDBM51581
PNG
(4-butyl-6-chloranyl-7-oxidanyl-8-(pyrrolidin-1-ylm...)
Show SMILES CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12
Show InChI InChI=1S/C18H22ClNO3/c1-2-3-6-12-9-16(21)23-18-13(12)10-15(19)17(22)14(18)11-20-7-4-5-8-20/h9-10,22H,2-8,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.78E+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
dTDP-4-dehydrorhamnose 3,5-epimerase RmlC


(Mycobacterium tuberculosis H37Rv)
BDBM51581
PNG
(4-butyl-6-chloranyl-7-oxidanyl-8-(pyrrolidin-1-ylm...)
Show SMILES CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12
Show InChI InChI=1S/C18H22ClNO3/c1-2-3-6-12-9-16(21)23-18-13(12)10-15(19)17(22)14(18)11-20-7-4-5-8-20/h9-10,22H,2-8,11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 342n/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