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BDBM61569 (2S)-2-[[4-[[4-[(tert-butoxycarbonylamino)methyl]phenyl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propionic acid tert-butyl ester::(2S)-2-[[[4-[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]anilino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]propanoic acid tert-butyl ester::ILP-IV-66::MLS000849613::SMR000465904::cid_16746635::tert-butyl (2S)-2-[[4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamoyl]-1H-imidazol-5-yl]carbonylamino]propanoate::tert-butyl (2S)-2-[[4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate

SMILES: C[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C

InChI Key: InChIKey=LYCSQYGDKXPKPY-AWEZNQCLSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 61569   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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
XBP1


(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
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Emory University

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
PC cid
PC sid
UniChem

Similars

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



Emory University

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
PC cid
PC sid
UniChem

Similars

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



Emory University

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)


Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair