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BDBM60229 MLS000568342::N-[N'-(4-Propoxy-benzoyl)-hydrazinocarbothioyl]-propionamide::N-[[(4-propoxybenzoyl)amino]carbamothioyl]propanamide::N-[[(4-propoxybenzoyl)amino]thiocarbamoyl]propionamide::N-[[(4-propoxyphenyl)carbonylamino]carbamothioyl]propanamide::N-[[[oxo-(4-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]propanamide::SMR000177383::cid_1728272

SMILES: CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)CC

InChI Key: InChIKey=MVGROEOMVASFLP-UHFFFAOYSA-N

Data: 6 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 9 hits for monomerid = 60229   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM60229
PNG
(MLS000568342 | N-[N'-(4-Propoxy-benzoyl)-hydra...)
Show SMILES CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)CC
Show InChI InChI=1S/C14H19N3O3S/c1-3-9-20-11-7-5-10(6-8-11)13(19)16-17-14(21)15-12(18)4-2/h5-8H,3-4,9H2,1-2H3,(H,16,19)(H2,15,17,18,21)
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n/an/a 7.95E+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 (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair
Agp1p


(Saccharomyces cerevisiae S288c)
BDBM60229
PNG
(MLS000568342 | N-[N'-(4-Propoxy-benzoyl)-hydra...)
Show SMILES CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)CC
Show InChI InChI=1S/C14H19N3O3S/c1-3-9-20-11-7-5-10(6-8-11)13(19)16-17-14(21)15-12(18)4-2/h5-8H,3-4,9H2,1-2H3,(H,16,19)(H2,15,17,18,21)
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n/an/an/an/a 1.94E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29885GJ
More data for this
Ligand-Target Pair
citrate synthase 2


(Saccharomyces cerevisiae)
BDBM60229
PNG
(MLS000568342 | N-[N'-(4-Propoxy-benzoyl)-hydra...)
Show SMILES CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)CC
Show InChI InChI=1S/C14H19N3O3S/c1-3-9-20-11-7-5-10(6-8-11)13(19)16-17-14(21)15-12(18)4-2/h5-8H,3-4,9H2,1-2H3,(H,16,19)(H2,15,17,18,21)
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n/an/an/an/a 3.10E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25H7DRT
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM60229
PNG
(MLS000568342 | N-[N'-(4-Propoxy-benzoyl)-hydra...)
Show SMILES CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)CC
Show InChI InChI=1S/C14H19N3O3S/c1-3-9-20-11-7-5-10(6-8-11)13(19)16-17-14(21)15-12(18)4-2/h5-8H,3-4,9H2,1-2H3,(H,16,19)(H2,15,17,18,21)
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n/an/an/an/a 1.15E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM60229
PNG
(MLS000568342 | N-[N'-(4-Propoxy-benzoyl)-hydra...)
Show SMILES CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)CC
Show InChI InChI=1S/C14H19N3O3S/c1-3-9-20-11-7-5-10(6-8-11)13(19)16-17-14(21)15-12(18)4-2/h5-8H,3-4,9H2,1-2H3,(H,16,19)(H2,15,17,18,21)
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n/an/a 7.86E+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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM60229
PNG
(MLS000568342 | N-[N'-(4-Propoxy-benzoyl)-hydra...)
Show SMILES CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)CC
Show InChI InChI=1S/C14H19N3O3S/c1-3-9-20-11-7-5-10(6-8-11)13(19)16-17-14(21)15-12(18)4-2/h5-8H,3-4,9H2,1-2H3,(H,16,19)(H2,15,17,18,21)
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n/an/a 7.14E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM60229
PNG
(MLS000568342 | N-[N'-(4-Propoxy-benzoyl)-hydra...)
Show SMILES CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)CC
Show InChI InChI=1S/C14H19N3O3S/c1-3-9-20-11-7-5-10(6-8-11)13(19)16-17-14(21)15-12(18)4-2/h5-8H,3-4,9H2,1-2H3,(H,16,19)(H2,15,17,18,21)
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n/an/a 9.02E+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
Bfl-1


(Mus musculus (Mouse))
BDBM60229
PNG
(MLS000568342 | N-[N'-(4-Propoxy-benzoyl)-hydra...)
Show SMILES CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)CC
Show InChI InChI=1S/C14H19N3O3S/c1-3-9-20-11-7-5-10(6-8-11)13(19)16-17-14(21)15-12(18)4-2/h5-8H,3-4,9H2,1-2H3,(H,16,19)(H2,15,17,18,21)
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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
Apelin receptor


(Homo sapiens (Human))
BDBM60229
PNG
(MLS000568342 | N-[N'-(4-Propoxy-benzoyl)-hydra...)
Show SMILES CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)CC
Show InChI InChI=1S/C14H19N3O3S/c1-3-9-20-11-7-5-10(6-8-11)13(19)16-17-14(21)15-12(18)4-2/h5-8H,3-4,9H2,1-2H3,(H,16,19)(H2,15,17,18,21)
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n/an/a 8.93E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair