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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 552.0
BDBM47537
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM47537
PNG
(MLS000707627 | N-(2-chloranyl-5-piperidin-1-ylsulf...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H23ClFN3O5S2/c25-21-13-12-19(36(33,34)29-14-4-1-5-15-29)16-23(21)27-24(30)20-6-2-3-7-22(20)28-35(31,32)18-10-8-17(26)9-11-18/h2-3,6-13,16,28H,1,4-5,14-15H2,(H,27,30)
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MMDB

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UniProtKB/SwissProt

B.MOAD
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UniChem

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PCBioAssay
n/an/a 4.49E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM47537
PNG
(MLS000707627 | N-(2-chloranyl-5-piperidin-1-ylsulf...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H23ClFN3O5S2/c25-21-13-12-19(36(33,34)29-14-4-1-5-15-29)16-23(21)27-24(30)20-6-2-3-7-22(20)28-35(31,32)18-10-8-17(26)9-11-18/h2-3,6-13,16,28H,1,4-5,14-15H2,(H,27,30)
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antibodypedia
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PCBioAssay
n/an/an/an/a 1.27E+4n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM47537
PNG
(MLS000707627 | N-(2-chloranyl-5-piperidin-1-ylsulf...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H23ClFN3O5S2/c25-21-13-12-19(36(33,34)29-14-4-1-5-15-29)16-23(21)27-24(30)20-6-2-3-7-22(20)28-35(31,32)18-10-8-17(26)9-11-18/h2-3,6-13,16,28H,1,4-5,14-15H2,(H,27,30)
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n/an/an/an/a 2.56E+4n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2251GM6
More data for this
Ligand-Target Pair
Solute carrier family 12 member 5


(Homo sapiens (Human))
BDBM47537
PNG
(MLS000707627 | N-(2-chloranyl-5-piperidin-1-ylsulf...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H23ClFN3O5S2/c25-21-13-12-19(36(33,34)29-14-4-1-5-15-29)16-23(21)27-24(30)20-6-2-3-7-22(20)28-35(31,32)18-10-8-17(26)9-11-18/h2-3,6-13,16,28H,1,4-5,14-15H2,(H,27,30)
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n/an/an/an/a 1.01E+5n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair