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BDBM83205 (E,2S,3R)-2-amino-4-octadecene-1,3-diol::(E,2S,3R)-2-aminooctadec-4-ene-1,3-diol::(E,2S,3R)-2-azanyloctadec-4-ene-1,3-diol::MLS-0412588.0001::cid_5280335

SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO

InChI Key: InChIKey=WWUZIQQURGPMPG-KRWOKUGFSA-N

Data: 10 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 11 hits for monomerid = 83205   
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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM83205
PNG
((E,2S,3R)-2-amino-4-octadecene-1,3-diol | (E,2S,3R...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM83205
PNG
((E,2S,3R)-2-amino-4-octadecene-1,3-diol | (E,2S,3R...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
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n/an/a 6.20E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM83205
PNG
((E,2S,3R)-2-amino-4-octadecene-1,3-diol | (E,2S,3R...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
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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/Q25D8Q92
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM83205
PNG
((E,2S,3R)-2-amino-4-octadecene-1,3-diol | (E,2S,3R...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
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n/an/a 6.43E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens)
BDBM83205
PNG
((E,2S,3R)-2-amino-4-octadecene-1,3-diol | (E,2S,3R...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
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n/an/a>6.66E+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/Q2B856NC
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM83205
PNG
((E,2S,3R)-2-amino-4-octadecene-1,3-diol | (E,2S,3R...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
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n/an/a 2.34E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Protein kinase C isolated from rat brain


Citation and Details
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM83205
PNG
((E,2S,3R)-2-amino-4-octadecene-1,3-diol | (E,2S,3R...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
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n/an/a 1.15E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for its inhibitory activity against cholesteryl ester transfer protein (CETP)


Bioorg Med Chem Lett 7: 1481-1482 (1997)


Article DOI: 10.1016/S0960-894X(97)00248-5
BindingDB Entry DOI: 10.7270/Q2SX6DR5
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Rattus norvegicus (rat))
BDBM83205
PNG
((E,2S,3R)-2-amino-4-octadecene-1,3-diol | (E,2S,3R...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
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PubMed
n/an/a 98n/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of cAMP-dependent kinase PKA(Protein kinase A) catalytic subunit at 100 uM


J Med Chem 34: 2928-31 (1991)


Article DOI: 10.1021/jm00113a038
BindingDB Entry DOI: 10.7270/Q2KH0NZG
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM83205
PNG
((E,2S,3R)-2-amino-4-octadecene-1,3-diol | (E,2S,3R...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
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n/an/a 2.34E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Protein kinase C of rat brain using phosphatidyl serine: di-acyl glycerol (2:1)


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Rattus norvegicus)
BDBM83205
PNG
((E,2S,3R)-2-amino-4-octadecene-1,3-diol | (E,2S,3R...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory concentration required against Protein kinase C (isolated from rat brain) in PKC assay performed with 4 ug phosphatidyl serine:diacylglyce...


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM83205
PNG
((E,2S,3R)-2-amino-4-octadecene-1,3-diol | (E,2S,3R...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
Show InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
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n/an/a 2.09E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2QJ7FTF
More data for this
Ligand-Target Pair