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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 312.3
BDBM61827
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 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 1


(Homo sapiens (Human))
BDBM61827
PNG
(2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carb...)
Show SMILES NC(=O)c1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1
Show InChI InChI=1S/C15H12N4O2S/c16-10-4-1-8(2-5-10)14(21)19-15-18-11-6-3-9(13(17)20)7-12(11)22-15/h1-7H,16H2,(H2,17,20)(H,18,19,21)
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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM61827
PNG
(2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carb...)
Show SMILES NC(=O)c1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1
Show InChI InChI=1S/C15H12N4O2S/c16-10-4-1-8(2-5-10)14(21)19-15-18-11-6-3-9(13(17)20)7-12(11)22-15/h1-7H,16H2,(H2,17,20)(H,18,19,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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