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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 480.9
BDBM61816
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM61816
PNG
(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3nnc(s3)C3CC3)c2c1
Show InChI InChI=1S/C24H21ClN4O3S/c1-13-18(12-21(30)26-24-28-27-22(33-24)14-3-4-14)19-11-17(32-2)9-10-20(19)29(13)23(31)15-5-7-16(25)8-6-15/h5-11,14H,3-4,12H2,1-2H3,(H,26,28,30)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>3.54E+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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM61816
PNG
(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3nnc(s3)C3CC3)c2c1
Show InChI InChI=1S/C24H21ClN4O3S/c1-13-18(12-21(30)26-24-28-27-22(33-24)14-3-4-14)19-11-17(32-2)9-10-20(19)29(13)23(31)15-5-7-16(25)8-6-15/h5-11,14H,3-4,12H2,1-2H3,(H,26,28,30)
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antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>3.54E+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
Heat shock factor protein 1


(Mus musculus)
BDBM61816
PNG
(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3nnc(s3)C3CC3)c2c1
Show InChI InChI=1S/C24H21ClN4O3S/c1-13-18(12-21(30)26-24-28-27-22(33-24)14-3-4-14)19-11-17(32-2)9-10-20(19)29(13)23(31)15-5-7-16(25)8-6-15/h5-11,14H,3-4,12H2,1-2H3,(H,26,28,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 2.16E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair