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BDBM37631 ALTRETAMINE::MLS000069621::SMR000058181::cid_2123

SMILES: CN(C)c1nc(nc(n1)N(C)C)N(C)C

InChI Key: InChIKey=UUVWYPNAQBNQJQ-UHFFFAOYSA-N

Data: 2 KI  3 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 5 hits for monomerid = 37631   
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
fMet-Leu-Phe receptor 1/2


(Homo sapiens (human))
BDBM37631
PNG
(ALTRETAMINE | MLS000069621 | SMR000058181 | cid_21...)
Show SMILES CN(C)c1nc(nc(n1)N(C)C)N(C)C
Show InChI InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3
NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

PCBioAssay
>4.03E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM37631
PNG
(ALTRETAMINE | MLS000069621 | SMR000058181 | cid_21...)
Show SMILES CN(C)c1nc(nc(n1)N(C)C)N(C)C
Show InChI InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
>4.37E+4n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Genome polyprotein


(West Nile virus)
BDBM37631
PNG
(ALTRETAMINE | MLS000069621 | SMR000058181 | cid_21...)
Show SMILES CN(C)c1nc(nc(n1)N(C)C)N(C)C
Show InChI InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a>5.00E+7n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens)
BDBM37631
PNG
(ALTRETAMINE | MLS000069621 | SMR000058181 | cid_21...)
Show SMILES CN(C)c1nc(nc(n1)N(C)C)N(C)C
Show InChI InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (human))
BDBM37631
PNG
(ALTRETAMINE | MLS000069621 | SMR000058181 | cid_21...)
Show SMILES CN(C)c1nc(nc(n1)N(C)C)N(C)C
Show InChI InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a>6.67E+4n/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph....


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair