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BDBM88722 1-[(E)-(1,3-dimethyl-4-pyrazolyl)methylideneamino]-3-phenylthiourea::1-[(E)-(1,3-dimethylpyrazol-4-yl)methyleneamino]-3-phenyl-thiourea::1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-phenyl-thiourea::1-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-phenylthiourea::MLS000556967::SMR000148084::cid_6878515

SMILES: Cc1nn(C)cc1C=NNC(=S)Nc1ccccc1

InChI Key: InChIKey=DJKFXOPMJDYEBZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 88722   
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
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM88722
PNG
(1-[(E)-(1,3-dimethyl-4-pyrazolyl)methylideneamino]...)
Show SMILES Cc1nn(C)cc1C=NNC(=S)Nc1ccccc1 |w:8.9|
Show InChI InChI=1S/C13H15N5S/c1-10-11(9-18(2)17-10)8-14-16-13(19)15-12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,15,16,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.65E+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
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM88722
PNG
(1-[(E)-(1,3-dimethyl-4-pyrazolyl)methylideneamino]...)
Show SMILES Cc1nn(C)cc1C=NNC(=S)Nc1ccccc1 |w:8.9|
Show InChI InChI=1S/C13H15N5S/c1-10-11(9-18(2)17-10)8-14-16-13(19)15-12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,15,16,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.79E+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
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM88722
PNG
(1-[(E)-(1,3-dimethyl-4-pyrazolyl)methylideneamino]...)
Show SMILES Cc1nn(C)cc1C=NNC(=S)Nc1ccccc1 |w:8.9|
Show InChI InChI=1S/C13H15N5S/c1-10-11(9-18(2)17-10)8-14-16-13(19)15-12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,15,16,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.15E+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
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM88722
PNG
(1-[(E)-(1,3-dimethyl-4-pyrazolyl)methylideneamino]...)
Show SMILES Cc1nn(C)cc1C=NNC(=S)Nc1ccccc1 |w:8.9|
Show InChI InChI=1S/C13H15N5S/c1-10-11(9-18(2)17-10)8-14-16-13(19)15-12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,15,16,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.22E+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