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BDBM46222 3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea::3-(3-chloro-4-methoxy-phenyl)-1-isoamyl-1-(1-isopropyl-4-piperidyl)thiourea::3-(3-chloro-4-methoxyphenyl)-1-(3-methylbutyl)-1-(1-propan-2-yl-4-piperidinyl)thiourea::3-(3-chloro-4-methoxyphenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-4-yl)thiourea::MLS-0330044.0001::cid_24761488

SMILES: COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl

InChI Key: InChIKey=HNDWHMKTONQBSA-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 46222   
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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
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n/an/a 1.17E+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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
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n/an/a>9.90E+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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
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n/an/a 1.26E+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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
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n/an/a 4.01E+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)

More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
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n/an/a 195n/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...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
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n/an/a 2.10E+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...


Citation and Details
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens)
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
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n/an/a 3.86E+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, C...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
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n/an/a 271n/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...


Citation and Details
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
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n/an/a 676n/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...


Citation and Details
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens)
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
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n/an/a 1.06E+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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM46222
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylbutyl)...)
Show SMILES COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
Show InChI InChI=1S/C21H34ClN3OS/c1-15(2)8-13-25(18-9-11-24(12-10-18)16(3)4)21(27)23-17-6-7-20(26-5)19(22)14-17/h6-7,14-16,18H,8-13H2,1-5H3,(H,23,27)
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n/an/a 2.09E+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...


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More data for this
Ligand-Target Pair