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BDBM34901 1,1-diisopropyl-3-piazthiol-5-yl-urea::3-(2,1,3-benzothiadiazol-5-yl)-1,1-di(propan-2-yl)urea::MLS000764665::SMR000290270::cid_1072934

SMILES: CC(C)N(C(C)C)C(=O)Nc1ccc2nsnc2c1

InChI Key: InChIKey=KGGMLLZHZZVHJN-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 34901   
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
MPI protein


(Homo sapiens (Human))
BDBM34901
PNG
(1,1-diisopropyl-3-piazthiol-5-yl-urea | 3-(2,1,3-b...)
Show SMILES CC(C)N(C(C)C)C(=O)Nc1ccc2nsnc2c1
Show InChI InChI=1S/C13H18N4OS/c1-8(2)17(9(3)4)13(18)14-10-5-6-11-12(7-10)16-19-15-11/h5-9H,1-4H3,(H,14,18)
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UniProtKB/SwissProt

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



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens (Human))
BDBM34901
PNG
(1,1-diisopropyl-3-piazthiol-5-yl-urea | 3-(2,1,3-b...)
Show SMILES CC(C)N(C(C)C)C(=O)Nc1ccc2nsnc2c1
Show InChI InChI=1S/C13H18N4OS/c1-8(2)17(9(3)4)13(18)14-10-5-6-11-12(7-10)16-19-15-11/h5-9H,1-4H3,(H,14,18)
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PC sid
UniChem

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Article
PCBioAssay
n/an/a 5.00E+4n/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-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb4002552
BindingDB Entry DOI: 10.7270/Q2C827QV
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM34901
PNG
(1,1-diisopropyl-3-piazthiol-5-yl-urea | 3-(2,1,3-b...)
Show SMILES CC(C)N(C(C)C)C(=O)Nc1ccc2nsnc2c1
Show InChI InChI=1S/C13H18N4OS/c1-8(2)17(9(3)4)13(18)14-10-5-6-11-12(7-10)16-19-15-11/h5-9H,1-4H3,(H,14,18)
PDB
MMDB

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DrugBank
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n/an/a 5.81E+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/Q2RJ4GZT
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM34901
PNG
(1,1-diisopropyl-3-piazthiol-5-yl-urea | 3-(2,1,3-b...)
Show SMILES CC(C)N(C(C)C)C(=O)Nc1ccc2nsnc2c1
Show InChI InChI=1S/C13H18N4OS/c1-8(2)17(9(3)4)13(18)14-10-5-6-11-12(7-10)16-19-15-11/h5-9H,1-4H3,(H,14,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.41E+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/Q2MS3R7H
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM34901
PNG
(1,1-diisopropyl-3-piazthiol-5-yl-urea | 3-(2,1,3-b...)
Show SMILES CC(C)N(C(C)C)C(=O)Nc1ccc2nsnc2c1
Show InChI InChI=1S/C13H18N4OS/c1-8(2)17(9(3)4)13(18)14-10-5-6-11-12(7-10)16-19-15-11/h5-9H,1-4H3,(H,14,18)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.96E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM34901
PNG
(1,1-diisopropyl-3-piazthiol-5-yl-urea | 3-(2,1,3-b...)
Show SMILES CC(C)N(C(C)C)C(=O)Nc1ccc2nsnc2c1
Show InChI InChI=1S/C13H18N4OS/c1-8(2)17(9(3)4)13(18)14-10-5-6-11-12(7-10)16-19-15-11/h5-9H,1-4H3,(H,14,18)
PDB
MMDB

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PCBioAssay
n/an/a 6.61E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1021/acs.biochem.5b00607
BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM34901
PNG
(1,1-diisopropyl-3-piazthiol-5-yl-urea | 3-(2,1,3-b...)
Show SMILES CC(C)N(C(C)C)C(=O)Nc1ccc2nsnc2c1
Show InChI InChI=1S/C13H18N4OS/c1-8(2)17(9(3)4)13(18)14-10-5-6-11-12(7-10)16-19-15-11/h5-9H,1-4H3,(H,14,18)
PDB
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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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1021/acs.biochem.5b00536
BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM34901
PNG
(1,1-diisopropyl-3-piazthiol-5-yl-urea | 3-(2,1,3-b...)
Show SMILES CC(C)N(C(C)C)C(=O)Nc1ccc2nsnc2c1
Show InChI InChI=1S/C13H18N4OS/c1-8(2)17(9(3)4)13(18)14-10-5-6-11-12(7-10)16-19-15-11/h5-9H,1-4H3,(H,14,18)
PDB
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PCBioAssay
n/an/a 2.14E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1111/cbdd.12356
BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM34901
PNG
(1,1-diisopropyl-3-piazthiol-5-yl-urea | 3-(2,1,3-b...)
Show SMILES CC(C)N(C(C)C)C(=O)Nc1ccc2nsnc2c1
Show InChI InChI=1S/C13H18N4OS/c1-8(2)17(9(3)4)13(18)14-10-5-6-11-12(7-10)16-19-15-11/h5-9H,1-4H3,(H,14,18)
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.39E+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/Q27H1H10
More data for this
Ligand-Target Pair