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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 401.5
BDBM50101556

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 2


(Homo sapiens (Human))
BDBM50101556
PNG
(3-(9-Ethyl-9H-carbazol-3-yl)-1-(2-hydroxy-1-methyl...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)N(C)[C@H](C)[C@@H](O)c3ccccc3)ccc12
Show InChI InChI=1S/C25H27N3O2/c1-4-28-22-13-9-8-12-20(22)21-16-19(14-15-23(21)28)26-25(30)27(3)17(2)24(29)18-10-6-5-7-11-18/h5-17,24,29H,4H2,1-3H3,(H,26,30)/t17-,24-/m1/s1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Neuropeptide Y2 Receptor.


J Med Chem 44: 2344-56 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J56
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50101556
PNG
(3-(9-Ethyl-9H-carbazol-3-yl)-1-(2-hydroxy-1-methyl...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)N(C)[C@H](C)[C@@H](O)c3ccccc3)ccc12
Show InChI InChI=1S/C25H27N3O2/c1-4-28-22-13-9-8-12-20(22)21-16-19(14-15-23(21)28)26-25(30)27(3)17(2)24(29)18-10-6-5-7-11-18/h5-17,24,29H,4H2,1-3H3,(H,26,30)/t17-,24-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human Neuropeptide Y1 Receptor.


J Med Chem 44: 2344-56 (2001)


BindingDB Entry DOI: 10.7270/Q2DV1J56
More data for this
Ligand-Target Pair