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BDBM50282111 (S)-2-[(E)-(2R,5S)-2-Benzyl-5-((S)-1-methoxycarbonyl-2-methyl-propylcarbamoyl)-6-methyl-hept-3-enoylamino]-3-methyl-butyric acid::CHEMBL290265

SMILES: COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)\C=C\[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)C(C)C

InChI Key: InChIKey=XWLLMEYZHXBHGU-WDMUWORWSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50282111   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50282111
PNG
((S)-2-[(E)-(2R,5S)-2-Benzyl-5-((S)-1-methoxycarbon...)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)\C=C\[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)C(C)C
Show InChI InChI=1S/C28H42N2O6/c1-17(2)22(26(32)30-24(19(5)6)28(34)36-8)15-14-21(16-20-12-10-9-11-13-20)25(31)29-23(18(3)4)27(33)35-7/h9-15,17-19,21-24H,16H2,1-8H3,(H,29,31)(H,30,32)/b15-14+/t21-,22+,23-,24-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against HIV-1 protease


Bioorg Med Chem Lett 3: 1609-1614 (1993)


Article DOI: 10.1016/S0960-894X(00)80027-X
BindingDB Entry DOI: 10.7270/Q2RN37SB
More data for this
Ligand-Target Pair