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BDBM35418 2-({[3-{[(3-methylphenyl)amino]carbonyl}-4-(1-piperidinyl)phenyl]amino}carbonyl)cyclohexanecarboxylic acid::2-[[3-(m-tolylcarbamoyl)-4-piperidino-phenyl]carbamoyl]cyclohexanecarboxylic acid::2-[[3-[(3-methylanilino)-oxomethyl]-4-(1-piperidinyl)anilino]-oxomethyl]-1-cyclohexanecarboxylic acid::2-[[3-[(3-methylphenyl)carbamoyl]-4-piperidin-1-yl-phenyl]carbamoyl]cyclohexane-1-carboxylic acid::2-[[3-[(3-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]cyclohexane-1-carboxylic acid::MLS000049741::SMR000077791::cid_2960521

SMILES: Cc1cccc(NC(=O)c2cc(NC(=O)C3CCCCC3C(O)=O)ccc2N2CCCCC2)c1

InChI Key: InChIKey=ZZXZIHFVLGWKTF-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 35418   
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
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM35418
PNG
(2-({[3-{[(3-methylphenyl)amino]carbonyl}-4-(1-pipe...)
Show SMILES Cc1cccc(NC(=O)c2cc(NC(=O)C3CCCCC3C(O)=O)ccc2N2CCCCC2)c1
Show InChI InChI=1S/C27H33N3O4/c1-18-8-7-9-19(16-18)28-26(32)23-17-20(12-13-24(23)30-14-5-2-6-15-30)29-25(31)21-10-3-4-11-22(21)27(33)34/h7-9,12-13,16-17,21-22H,2-6,10-11,14-15H2,1H3,(H,28,32)(H,29,31)(H,33,34)
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n/an/a 4.92E+4n/an/an/an/a7.022



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM35418
PNG
(2-({[3-{[(3-methylphenyl)amino]carbonyl}-4-(1-pipe...)
Show SMILES Cc1cccc(NC(=O)c2cc(NC(=O)C3CCCCC3C(O)=O)ccc2N2CCCCC2)c1
Show InChI InChI=1S/C27H33N3O4/c1-18-8-7-9-19(16-18)28-26(32)23-17-20(12-13-24(23)30-14-5-2-6-15-30)29-25(31)21-10-3-4-11-22(21)27(33)34/h7-9,12-13,16-17,21-22H,2-6,10-11,14-15H2,1H3,(H,28,32)(H,29,31)(H,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi...


PubChem Bioassay (2006)


Article DOI: 10.1021/cb300623a
BindingDB Entry DOI: 10.7270/Q20863PV
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM35418
PNG
(2-({[3-{[(3-methylphenyl)amino]carbonyl}-4-(1-pipe...)
Show SMILES Cc1cccc(NC(=O)c2cc(NC(=O)C3CCCCC3C(O)=O)ccc2N2CCCCC2)c1
Show InChI InChI=1S/C27H33N3O4/c1-18-8-7-9-19(16-18)28-26(32)23-17-20(12-13-24(23)30-14-5-2-6-15-30)29-25(31)21-10-3-4-11-22(21)27(33)34/h7-9,12-13,16-17,21-22H,2-6,10-11,14-15H2,1H3,(H,28,32)(H,29,31)(H,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1...


PubChem Bioassay (2006)


Article DOI: 10.1021/cb400075f
BindingDB Entry DOI: 10.7270/Q2VH5M71
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM35418
PNG
(2-({[3-{[(3-methylphenyl)amino]carbonyl}-4-(1-pipe...)
Show SMILES Cc1cccc(NC(=O)c2cc(NC(=O)C3CCCCC3C(O)=O)ccc2N2CCCCC2)c1
Show InChI InChI=1S/C27H33N3O4/c1-18-8-7-9-19(16-18)28-26(32)23-17-20(12-13-24(23)30-14-5-2-6-15-30)29-25(31)21-10-3-4-11-22(21)27(33)34/h7-9,12-13,16-17,21-22H,2-6,10-11,14-15H2,1H3,(H,28,32)(H,29,31)(H,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The MKP-1 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PT...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2125R2H
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35418
PNG
(2-({[3-{[(3-methylphenyl)amino]carbonyl}-4-(1-pipe...)
Show SMILES Cc1cccc(NC(=O)c2cc(NC(=O)C3CCCCC3C(O)=O)ccc2N2CCCCC2)c1
Show InChI InChI=1S/C27H33N3O4/c1-18-8-7-9-19(16-18)28-26(32)23-17-20(12-13-24(23)30-14-5-2-6-15-30)29-25(31)21-10-3-4-11-22(21)27(33)34/h7-9,12-13,16-17,21-22H,2-6,10-11,14-15H2,1H3,(H,28,32)(H,29,31)(H,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35418
PNG
(2-({[3-{[(3-methylphenyl)amino]carbonyl}-4-(1-pipe...)
Show SMILES Cc1cccc(NC(=O)c2cc(NC(=O)C3CCCCC3C(O)=O)ccc2N2CCCCC2)c1
Show InChI InChI=1S/C27H33N3O4/c1-18-8-7-9-19(16-18)28-26(32)23-17-20(12-13-24(23)30-14-5-2-6-15-30)29-25(31)21-10-3-4-11-22(21)27(33)34/h7-9,12-13,16-17,21-22H,2-6,10-11,14-15H2,1H3,(H,28,32)(H,29,31)(H,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3...


PubChem Bioassay (2006)


Article DOI: 10.1021/cb300729y
BindingDB Entry DOI: 10.7270/Q2M043S8
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35418
PNG
(2-({[3-{[(3-methylphenyl)amino]carbonyl}-4-(1-pipe...)
Show SMILES Cc1cccc(NC(=O)c2cc(NC(=O)C3CCCCC3C(O)=O)ccc2N2CCCCC2)c1
Show InChI InChI=1S/C27H33N3O4/c1-18-8-7-9-19(16-18)28-26(32)23-17-20(12-13-24(23)30-14-5-2-6-15-30)29-25(31)21-10-3-4-11-22(21)27(33)34/h7-9,12-13,16-17,21-22H,2-6,10-11,14-15H2,1H3,(H,28,32)(H,29,31)(H,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibit...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2G73C2Z
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM35418
PNG
(2-({[3-{[(3-methylphenyl)amino]carbonyl}-4-(1-pipe...)
Show SMILES Cc1cccc(NC(=O)c2cc(NC(=O)C3CCCCC3C(O)=O)ccc2N2CCCCC2)c1
Show InChI InChI=1S/C27H33N3O4/c1-18-8-7-9-19(16-18)28-26(32)23-17-20(12-13-24(23)30-14-5-2-6-15-30)29-25(31)21-10-3-4-11-22(21)27(33)34/h7-9,12-13,16-17,21-22H,2-6,10-11,14-15H2,1H3,(H,28,32)(H,29,31)(H,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibit...


PubChem Bioassay (2006)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2QR4VH9
More data for this
Ligand-Target Pair