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BDBM65152 2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine::MLS000591025::N*2*-Benzyl-N*4*-(4-chloro-phenyl)-6-methyl-pyrimidine-2,4-diamine::N4-(4-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine::SMR000217865::benzyl-[4-(4-chloroanilino)-6-methyl-pyrimidin-2-yl]amine::cid_697231

SMILES: Cc1cc(Nc2ccc(Cl)cc2)nc(NCc2ccccc2)n1

InChI Key: InChIKey=LUXQVTQTDWHZFI-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 65152   
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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM65152
PNG
(2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine...)
Show SMILES Cc1cc(Nc2ccc(Cl)cc2)nc(NCc2ccccc2)n1
Show InChI InChI=1S/C18H17ClN4/c1-13-11-17(22-16-9-7-15(19)8-10-16)23-18(21-13)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,20,21,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM65152
PNG
(2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine...)
Show SMILES Cc1cc(Nc2ccc(Cl)cc2)nc(NCc2ccccc2)n1
Show InChI InChI=1S/C18H17ClN4/c1-13-11-17(22-16-9-7-15(19)8-10-16)23-18(21-13)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,20,21,22,23)
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n/an/a>2.00E+4n/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM65152
PNG
(2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine...)
Show SMILES Cc1cc(Nc2ccc(Cl)cc2)nc(NCc2ccccc2)n1
Show InChI InChI=1S/C18H17ClN4/c1-13-11-17(22-16-9-7-15(19)8-10-16)23-18(21-13)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,20,21,22,23)
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n/an/a 1.54E+4n/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 (2011)


BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM65152
PNG
(2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine...)
Show SMILES Cc1cc(Nc2ccc(Cl)cc2)nc(NCc2ccccc2)n1
Show InChI InChI=1S/C18H17ClN4/c1-13-11-17(22-16-9-7-15(19)8-10-16)23-18(21-13)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,20,21,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM65152
PNG
(2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine...)
Show SMILES Cc1cc(Nc2ccc(Cl)cc2)nc(NCc2ccccc2)n1
Show InChI InChI=1S/C18H17ClN4/c1-13-11-17(22-16-9-7-15(19)8-10-16)23-18(21-13)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,20,21,22,23)
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n/an/a 1.09E+4n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM65152
PNG
(2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine...)
Show SMILES Cc1cc(Nc2ccc(Cl)cc2)nc(NCc2ccccc2)n1
Show InChI InChI=1S/C18H17ClN4/c1-13-11-17(22-16-9-7-15(19)8-10-16)23-18(21-13)20-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,20,21,22,23)
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antibodypedia
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n/an/a 160n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair