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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 491.6
BDBM314209

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
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM314209
PNG
((S)-2-Methylamino-N—[(S)-1-(2-methyl-naphthal...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccc(cc2N(Cc2c(C)ccc3ccccc23)C1=O)-c1ccccc1 |r|
Show InChI InChI=1S/C32H33N3O2/c1-21-13-14-24-11-7-8-12-27(24)28(21)20-35-30-19-26(23-9-5-4-6-10-23)16-15-25(30)17-18-29(32(35)37)34-31(36)22(2)33-3/h4-16,19,22,29,33H,17-18,20H2,1-3H3,(H,34,36)/t22-,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.07E+3n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6× ...


US Patent US9611224 (2017)


BindingDB Entry DOI: 10.7270/Q2XS5XG8
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3


(Homo sapiens (Human))
BDBM314209
PNG
((S)-2-Methylamino-N—[(S)-1-(2-methyl-naphthal...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccc(cc2N(Cc2c(C)ccc3ccccc23)C1=O)-c1ccccc1 |r|
Show InChI InChI=1S/C32H33N3O2/c1-21-13-14-24-11-7-8-12-27(24)28(21)20-35-30-19-26(23-9-5-4-6-10-23)16-15-25(30)17-18-29(32(35)37)34-31(36)22(2)33-3/h4-16,19,22,29,33H,17-18,20H2,1-3H3,(H,34,36)/t22-,29-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.76E+4n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6× ...


US Patent US9611224 (2017)


BindingDB Entry DOI: 10.7270/Q2XS5XG8
More data for this
Ligand-Target Pair