BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 487.5
BDBM61569

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

Found 4 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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61569
PNG
((2S)-2-[[4-[[4-[(tert-butoxycarbonylamino)methyl]p...)
Show SMILES C[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H33N5O6/c1-14(21(32)34-23(2,3)4)28-19(30)17-18(27-13-26-17)20(31)29-16-10-8-15(9-11-16)12-25-22(33)35-24(5,6)7/h8-11,13-14H,12H2,1-7H3,(H,25,33)(H,26,27)(H,28,30)(H,29,31)/t14-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.55E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2348HSG
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Homo sapiens (Human))
BDBM61569
PNG
((2S)-2-[[4-[[4-[(tert-butoxycarbonylamino)methyl]p...)
Show SMILES C[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H33N5O6/c1-14(21(32)34-23(2,3)4)28-19(30)17-18(27-13-26-17)20(31)29-16-10-8-15(9-11-16)12-25-22(33)35-24(5,6)7/h8-11,13-14H,12H2,1-7H3,(H,25,33)(H,26,27)(H,28,30)(H,29,31)/t14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.35E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM61569
PNG
((2S)-2-[[4-[[4-[(tert-butoxycarbonylamino)methyl]p...)
Show SMILES C[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H33N5O6/c1-14(21(32)34-23(2,3)4)28-19(30)17-18(27-13-26-17)20(31)29-16-10-8-15(9-11-16)12-25-22(33)35-24(5,6)7/h8-11,13-14H,12H2,1-7H3,(H,25,33)(H,26,27)(H,28,30)(H,29,31)/t14-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM61569
PNG
((2S)-2-[[4-[[4-[(tert-butoxycarbonylamino)methyl]p...)
Show SMILES C[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H33N5O6/c1-14(21(32)34-23(2,3)4)28-19(30)17-18(27-13-26-17)20(31)29-16-10-8-15(9-11-16)12-25-22(33)35-24(5,6)7/h8-11,13-14H,12H2,1-7H3,(H,25,33)(H,26,27)(H,28,30)(H,29,31)/t14-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair