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BDBM40323 MLS000564159::N-[bis(diethylamino)phosphoryl]-2,2,2-trichloro-acetamide;neodymium(3+);trichloride::N-[bis(diethylamino)phosphoryl]-2,2,2-trichloroacetamide;neodymium(3+);trichloride::N-[bis(diethylamino)phosphoryl]-2,2,2-tris(chloranyl)ethanamide;neodymium(3+);trichloride::SMR000151691::cid_9551987

SMILES: CCN(CC)P(=O)(NC(=O)C(Cl)(Cl)Cl)N(CC)CC

InChI Key: InChIKey=PXAHZNUQUKGVMQ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 40323   
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
mothers against decapentaplegic homolog 3


(Homo sapiens (Human))
BDBM40323
PNG
(MLS000564159 | N-[bis(diethylamino)phosphoryl]-2,2...)
Show SMILES CCN(CC)P(=O)(NC(=O)C(Cl)(Cl)Cl)N(CC)CC
Show InChI InChI=1S/C10H21Cl3N3O2P/c1-5-15(6-2)19(18,16(7-3)8-4)14-9(17)10(11,12)13/h5-8H2,1-4H3,(H,14,17,18)
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PC sid
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PCBioAssay
n/an/a 1.41E+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: F.M. Hoffmann, University ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2G44NQ4
More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens (Human))
BDBM40323
PNG
(MLS000564159 | N-[bis(diethylamino)phosphoryl]-2,2...)
Show SMILES CCN(CC)P(=O)(NC(=O)C(Cl)(Cl)Cl)N(CC)CC
Show InChI InChI=1S/C10H21Cl3N3O2P/c1-5-15(6-2)19(18,16(7-3)8-4)14-9(17)10(11,12)13/h5-8H2,1-4H3,(H,14,17,18)
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n/an/a 2.16E+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: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM40323
PNG
(MLS000564159 | N-[bis(diethylamino)phosphoryl]-2,2...)
Show SMILES CCN(CC)P(=O)(NC(=O)C(Cl)(Cl)Cl)N(CC)CC
Show InChI InChI=1S/C10H21Cl3N3O2P/c1-5-15(6-2)19(18,16(7-3)8-4)14-9(17)10(11,12)13/h5-8H2,1-4H3,(H,14,17,18)
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n/an/a 2.49E+3n/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/Q2V986KM
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM40323
PNG
(MLS000564159 | N-[bis(diethylamino)phosphoryl]-2,2...)
Show SMILES CCN(CC)P(=O)(NC(=O)C(Cl)(Cl)Cl)N(CC)CC
Show InChI InChI=1S/C10H21Cl3N3O2P/c1-5-15(6-2)19(18,16(7-3)8-4)14-9(17)10(11,12)13/h5-8H2,1-4H3,(H,14,17,18)
PDB
MMDB

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n/an/a 7.75E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM40323
PNG
(MLS000564159 | N-[bis(diethylamino)phosphoryl]-2,2...)
Show SMILES CCN(CC)P(=O)(NC(=O)C(Cl)(Cl)Cl)N(CC)CC
Show InChI InChI=1S/C10H21Cl3N3O2P/c1-5-15(6-2)19(18,16(7-3)8-4)14-9(17)10(11,12)13/h5-8H2,1-4H3,(H,14,17,18)
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n/an/a 3.25E+3n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2959G44
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM40323
PNG
(MLS000564159 | N-[bis(diethylamino)phosphoryl]-2,2...)
Show SMILES CCN(CC)P(=O)(NC(=O)C(Cl)(Cl)Cl)N(CC)CC
Show InChI InChI=1S/C10H21Cl3N3O2P/c1-5-15(6-2)19(18,16(7-3)8-4)14-9(17)10(11,12)13/h5-8H2,1-4H3,(H,14,17,18)
PDB
MMDB

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n/an/a 3.91E+3n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2T43RPN
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM40323
PNG
(MLS000564159 | N-[bis(diethylamino)phosphoryl]-2,2...)
Show SMILES CCN(CC)P(=O)(NC(=O)C(Cl)(Cl)Cl)N(CC)CC
Show InChI InChI=1S/C10H21Cl3N3O2P/c1-5-15(6-2)19(18,16(7-3)8-4)14-9(17)10(11,12)13/h5-8H2,1-4H3,(H,14,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
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n/an/a>8.00E+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, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair