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BDBM51790 MLS001224314::N-[[1-(3-fluorobenzyl)indol-3-yl]methyleneamino]-3,5-dihydroxy-benzamide::N-[[1-[(3-fluorophenyl)methyl]-3-indolyl]methylideneamino]-3,5-dihydroxybenzamide::N-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3,5-bis(oxidanyl)benzamide::N-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3,5-dihydroxybenzamide::SMR000678827::cid_24818575

SMILES: Oc1cc(O)cc(c1)C(=O)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12

InChI Key: InChIKey=WVVKNKDBZMZCCR-UHFFFAOYSA-N

Data: 6 IC50  1 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 7 hits for monomerid = 51790   
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 (VHR)


(Homo sapiens (Human))
BDBM51790
PNG
(MLS001224314 | N-[[1-(3-fluorobenzyl)indol-3-yl]me...)
Show SMILES Oc1cc(O)cc(c1)C(=O)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C23H18FN3O3/c24-18-5-3-4-15(8-18)13-27-14-17(21-6-1-2-7-22(21)27)12-25-26-23(30)16-9-19(28)11-20(29)10-16/h1-12,14,28-29H,13H2,(H,26,30)
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n/an/a 2.08E+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/Q29G5K79
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM51790
PNG
(MLS001224314 | N-[[1-(3-fluorobenzyl)indol-3-yl]me...)
Show SMILES Oc1cc(O)cc(c1)C(=O)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C23H18FN3O3/c24-18-5-3-4-15(8-18)13-27-14-17(21-6-1-2-7-22(21)27)12-25-26-23(30)16-9-19(28)11-20(29)10-16/h1-12,14,28-29H,13H2,(H,26,30)
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n/an/a 7.44E+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)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM51790
PNG
(MLS001224314 | N-[[1-(3-fluorobenzyl)indol-3-yl]me...)
Show SMILES Oc1cc(O)cc(c1)C(=O)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C23H18FN3O3/c24-18-5-3-4-15(8-18)13-27-14-17(21-6-1-2-7-22(21)27)12-25-26-23(30)16-9-19(28)11-20(29)10-16/h1-12,14,28-29H,13H2,(H,26,30)
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n/an/a 4.76E+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/Q2445JXV
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM51790
PNG
(MLS001224314 | N-[[1-(3-fluorobenzyl)indol-3-yl]me...)
Show SMILES Oc1cc(O)cc(c1)C(=O)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C23H18FN3O3/c24-18-5-3-4-15(8-18)13-27-14-17(21-6-1-2-7-22(21)27)12-25-26-23(30)16-9-19(28)11-20(29)10-16/h1-12,14,28-29H,13H2,(H,26,30)
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n/an/a 2.70E+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/Q2DB809V
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM51790
PNG
(MLS001224314 | N-[[1-(3-fluorobenzyl)indol-3-yl]me...)
Show SMILES Oc1cc(O)cc(c1)C(=O)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C23H18FN3O3/c24-18-5-3-4-15(8-18)13-27-14-17(21-6-1-2-7-22(21)27)12-25-26-23(30)16-9-19(28)11-20(29)10-16/h1-12,14,28-29H,13H2,(H,26,30)
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n/an/an/an/a 5.33E+4n/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/Q2SJ1J25
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM51790
PNG
(MLS001224314 | N-[[1-(3-fluorobenzyl)indol-3-yl]me...)
Show SMILES Oc1cc(O)cc(c1)C(=O)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C23H18FN3O3/c24-18-5-3-4-15(8-18)13-27-14-17(21-6-1-2-7-22(21)27)12-25-26-23(30)16-9-19(28)11-20(29)10-16/h1-12,14,28-29H,13H2,(H,26,30)
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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 (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM51790
PNG
(MLS001224314 | N-[[1-(3-fluorobenzyl)indol-3-yl]me...)
Show SMILES Oc1cc(O)cc(c1)C(=O)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12 |w:11.11|
Show InChI InChI=1S/C23H18FN3O3/c24-18-5-3-4-15(8-18)13-27-14-17(21-6-1-2-7-22(21)27)12-25-26-23(30)16-9-19(28)11-20(29)10-16/h1-12,14,28-29H,13H2,(H,26,30)
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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(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair