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BDBM47468 MLS000769840::N-(2-phenylethyl)-2-(2-pyridinyl)-4-quinazolinamine::N-(2-phenylethyl)-2-pyridin-2-yl-quinazolin-4-amine::N-(2-phenylethyl)-2-pyridin-2-ylquinazolin-4-amine::Phenethyl-(2-pyridin-2-yl-quinazolin-4-yl)-amine::SMR000434573::cid_937982::phenethyl-[2-(2-pyridyl)quinazolin-4-yl]amine

SMILES: C(Cc1ccccc1)Nc1nc(nc2ccccc12)-c1ccccn1

InChI Key: InChIKey=FIBATSPGNRZQTN-UHFFFAOYSA-N

Data: 3 IC50  3 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 6 hits for monomerid = 47468   
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47468
PNG
(MLS000769840 | N-(2-phenylethyl)-2-(2-pyridinyl)-4...)
Show SMILES C(Cc1ccccc1)Nc1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H18N4/c1-2-8-16(9-3-1)13-15-23-20-17-10-4-5-11-18(17)24-21(25-20)19-12-6-7-14-22-19/h1-12,14H,13,15H2,(H,23,24,25)
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n/an/a 3.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM47468
PNG
(MLS000769840 | N-(2-phenylethyl)-2-(2-pyridinyl)-4...)
Show SMILES C(Cc1ccccc1)Nc1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H18N4/c1-2-8-16(9-3-1)13-15-23-20-17-10-4-5-11-18(17)24-21(25-20)19-12-6-7-14-22-19/h1-12,14H,13,15H2,(H,23,24,25)
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n/an/a 6.27E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QN656Q
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM47468
PNG
(MLS000769840 | N-(2-phenylethyl)-2-(2-pyridinyl)-4...)
Show SMILES C(Cc1ccccc1)Nc1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H18N4/c1-2-8-16(9-3-1)13-15-23-20-17-10-4-5-11-18(17)24-21(25-20)19-12-6-7-14-22-19/h1-12,14H,13,15H2,(H,23,24,25)
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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human methionine aminopeptidase 2 in presence of Mn2+


J Med Chem 56: 3996-4016 (2013)


Article DOI: 10.1021/jm400227z
BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM47468
PNG
(MLS000769840 | N-(2-phenylethyl)-2-(2-pyridinyl)-4...)
Show SMILES C(Cc1ccccc1)Nc1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H18N4/c1-2-8-16(9-3-1)13-15-23-20-17-10-4-5-11-18(17)24-21(25-20)19-12-6-7-14-22-19/h1-12,14H,13,15H2,(H,23,24,25)
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n/an/an/an/a 940n/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human methionine aminopeptidase 1 in presence of Co2+


J Med Chem 56: 3996-4016 (2013)


Article DOI: 10.1021/jm400227z
BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM47468
PNG
(MLS000769840 | N-(2-phenylethyl)-2-(2-pyridinyl)-4...)
Show SMILES C(Cc1ccccc1)Nc1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H18N4/c1-2-8-16(9-3-1)13-15-23-20-17-10-4-5-11-18(17)24-21(25-20)19-12-6-7-14-22-19/h1-12,14H,13,15H2,(H,23,24,25)
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PubMed
n/an/an/an/a 2.40E+4n/an/an/an/a



Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human methionine aminopeptidase 1 in presence of Mn2+


J Med Chem 56: 3996-4016 (2013)


Article DOI: 10.1021/jm400227z
BindingDB Entry DOI: 10.7270/Q2SJ1N1Z
More data for this
Ligand-Target Pair
BZLF1


(Human herpesvirus 4)
BDBM47468
PNG
(MLS000769840 | N-(2-phenylethyl)-2-(2-pyridinyl)-4...)
Show SMILES C(Cc1ccccc1)Nc1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H18N4/c1-2-8-16(9-3-1)13-15-23-20-17-10-4-5-11-18(17)24-21(25-20)19-12-6-7-14-22-19/h1-12,14H,13,15H2,(H,23,24,25)
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n/an/a 4.93E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BC3X0T
More data for this
Ligand-Target Pair