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BDBM79933 (2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]-3-phenyl-propionic acid tert-butyl ester::(2S)-2-[[[5-[[methyl-(phenylmethyl)amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester::ILP-I-69::MLS000911294::SMR000641974::cid_24793385::tert-butyl (2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate::tert-butyl (2S)-2-[[5-[methyl-(phenylmethyl)carbamoyl]-1H-imidazol-4-yl]carbonylamino]-3-phenyl-propanoate

SMILES: CN(Cc1ccccc1)C(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

InChI Key: InChIKey=ZHKCBJBORAYSKM-FQEVSTJZSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 79933   
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
Orexin receptor type 1


(Homo sapiens (Human))
BDBM79933
PNG
((2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H30N4O4/c1-26(2,3)34-25(33)20(15-18-11-7-5-8-12-18)29-23(31)21-22(28-17-27-21)24(32)30(4)16-19-13-9-6-10-14-19/h5-14,17,20H,15-16H2,1-4H3,(H,27,28)(H,29,31)/t20-/m0/s1
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PC cid
PC sid
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Similars

PCBioAssay
n/an/a 5.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2WW7G4W
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM79933
PNG
((2S)-2-[[5-[benzyl(methyl)carbamoyl]-1H-imidazole-...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H30N4O4/c1-26(2,3)34-25(33)20(15-18-11-7-5-8-12-18)29-23(31)21-22(28-17-27-21)24(32)30(4)16-19-13-9-6-10-14-19/h5-14,17,20H,15-16H2,1-4H3,(H,27,28)(H,29,31)/t20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 515n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2S75DTS
More data for this
Ligand-Target Pair