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1 similar compounds to monomer 46863

Compile data set for download or QSAR
Wt: 407.2
BDBM44596Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 44596   
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
Kallikrein 5


(Homo sapiens (Human))		BDBM44596
PNG
(2-[(4-bromanylphenoxy)methyl]-5-(2-morpholin-4-yle...)
Show SMILES Brc1ccc(OCc2nc(C#N)c(NCCN3CCOCC3)o2)cc1
Show InChI InChI=1S/C17H19BrN4O3/c18-13-1-3-14(4-2-13)24-12-16-21-15(11-19)17(25-16)20-5-6-22-7-9-23-10-8-22/h1-4,20H,5-10,12H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 5.00E+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: Scott L. Diamond, University of Pennsy...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))		BDBM44596
PNG
(2-[(4-bromanylphenoxy)methyl]-5-(2-morpholin-4-yle...)
Show SMILES Brc1ccc(OCc2nc(C#N)c(NCCN3CCOCC3)o2)cc1
Show InChI InChI=1S/C17H19BrN4O3/c18-13-1-3-14(4-2-13)24-12-16-21-15(11-19)17(25-16)20-5-6-22-7-9-23-10-8-22/h1-4,20H,5-10,12H2
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 4.50E+3n/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 C...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair