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BDBM32760 3-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine::3-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine::3-[(2-chlorophenyl)methyl]-N-[2-(4-morpholinyl)ethyl]-7-triazolo[4,5-d]pyrimidinamine::MLS000034167::SMR000007989::[3-(2-Chloro-benzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-(2-morpholin-4-yl-ethyl)-amine::[3-(2-chlorobenzyl)triazolo[4,5-d]pyrimidin-7-yl]-(2-morpholinoethyl)amine::cid_653228

SMILES: Clc1ccccc1Cn1nnc2c(NCCN3CCOCC3)ncnc12

InChI Key: InChIKey=JTJMXJYSNATRPM-UHFFFAOYSA-N

Data: 2 IC50  5 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 7 hits for monomerid = 32760   
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
Coagulation factor XI


(Homo sapiens (Human))
BDBM32760
PNG
(3-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethy...)
Show SMILES Clc1ccccc1Cn1nnc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C17H20ClN7O/c18-14-4-2-1-3-13(14)11-25-17-15(22-23-25)16(20-12-21-17)19-5-6-24-7-9-26-10-8-24/h1-4,12H,5-11H2,(H,19,20,21)
PDB
MMDB

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PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens (Human))
BDBM32760
PNG
(3-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethy...)
Show SMILES Clc1ccccc1Cn1nnc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C17H20ClN7O/c18-14-4-2-1-3-13(14)11-25-17-15(22-23-25)16(20-12-21-17)19-5-6-24-7-9-26-10-8-24/h1-4,12H,5-11H2,(H,19,20,21)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PV6HS7
More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM32760
PNG
(3-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethy...)
Show SMILES Clc1ccccc1Cn1nnc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C17H20ClN7O/c18-14-4-2-1-3-13(14)11-25-17-15(22-23-25)16(20-12-21-17)19-5-6-24-7-9-26-10-8-24/h1-4,12H,5-11H2,(H,19,20,21)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2K35S27
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM32760
PNG
(3-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethy...)
Show SMILES Clc1ccccc1Cn1nnc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C17H20ClN7O/c18-14-4-2-1-3-13(14)11-25-17-15(22-23-25)16(20-12-21-17)19-5-6-24-7-9-26-10-8-24/h1-4,12H,5-11H2,(H,19,20,21)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2F76B0G
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM32760
PNG
(3-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethy...)
Show SMILES Clc1ccccc1Cn1nnc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C17H20ClN7O/c18-14-4-2-1-3-13(14)11-25-17-15(22-23-25)16(20-12-21-17)19-5-6-24-7-9-26-10-8-24/h1-4,12H,5-11H2,(H,19,20,21)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TM78JD
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM32760
PNG
(3-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethy...)
Show SMILES Clc1ccccc1Cn1nnc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C17H20ClN7O/c18-14-4-2-1-3-13(14)11-25-17-15(22-23-25)16(20-12-21-17)19-5-6-24-7-9-26-10-8-24/h1-4,12H,5-11H2,(H,19,20,21)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2RJ4GWX
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM32760
PNG
(3-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethy...)
Show SMILES Clc1ccccc1Cn1nnc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C17H20ClN7O/c18-14-4-2-1-3-13(14)11-25-17-15(22-23-25)16(20-12-21-17)19-5-6-24-7-9-26-10-8-24/h1-4,12H,5-11H2,(H,19,20,21)
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UniChem

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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair