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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 473.5
BDBM314233

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))
BDBM314233
PNG
((S)—N—[(S)-1-(6-Acetyl-2-methoxy-naphtha...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(C)=O)C1=O |r|
Show InChI InChI=1S/C28H31N3O4/c1-17(29-3)27(33)30-24-13-10-19-7-5-6-8-25(19)31(28(24)34)16-23-22-12-9-20(18(2)32)15-21(22)11-14-26(23)35-4/h5-9,11-12,14-15,17,24,29H,10,13,16H2,1-4H3,(H,30,33)/t17-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 197n/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))
BDBM314233
PNG
((S)—N—[(S)-1-(6-Acetyl-2-methoxy-naphtha...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(C)=O)C1=O |r|
Show InChI InChI=1S/C28H31N3O4/c1-17(29-3)27(33)30-24-13-10-19-7-5-6-8-25(19)31(28(24)34)16-23-22-12-9-20(18(2)32)15-21(22)11-14-26(23)35-4/h5-9,11-12,14-15,17,24,29H,10,13,16H2,1-4H3,(H,30,33)/t17-,24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.48E+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