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SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)N(C)C)C=O

InChI Key: InChIKey=XXOASWZUAUVSBR-SDHOMARFSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50084675   
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
Genome polyprotein


(Human rhinovirus B)
BDBM50084675
PNG
(CHEMBL114869 | {1-[1-(1-Dimethylcarbamoylmethyl-2-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)N(C)C)C=O
Show InChI InChI=1S/C29H38N4O6/c1-20(2)15-24(32-29(38)39-19-22-13-9-6-10-14-22)28(37)31-25(16-21-11-7-5-8-12-21)27(36)30-23(18-34)17-26(35)33(3)4/h5-14,18,20,23-25H,15-17,19H2,1-4H3,(H,30,36)(H,31,37)(H,32,38)/t23-,24-,25-/m0/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
The binding affinity against Protease 3C


J Med Chem 43: 305-41 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50084675
PNG
(CHEMBL114869 | {1-[1-(1-Dimethylcarbamoylmethyl-2-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)N(C)C)C=O
Show InChI InChI=1S/C29H38N4O6/c1-20(2)15-24(32-29(38)39-19-22-13-9-6-10-14-22)28(37)31-25(16-21-11-7-5-8-12-21)27(36)30-23(18-34)17-26(35)33(3)4/h5-14,18,20,23-25H,15-17,19H2,1-4H3,(H,30,36)(H,31,37)(H,32,38)/t23-,24-,25-/m0/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 1.30E+3n/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
The effective concentration against Protease 3C


J Med Chem 43: 305-41 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair