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BDBM50000818 CHEMBL300452

SMILES: CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=HSKDHWLZKVSENR-KHUIQGCPSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50000818   
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)
BDBM50000818
PNG
(CHEMBL300452)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C29H37N3O9/c1-29(2,3)41-28(40)32-21(16-18-10-6-4-7-11-18)24(35)26(37)30-20(14-15-23(33)34)25(36)31-22(27(38)39)17-19-12-8-5-9-13-19/h4-13,20-22,24,35H,14-17H2,1-3H3,(H,30,37)(H,31,36)(H,32,40)(H,33,34)(H,38,39)/t20-,21+,22-,24-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.19E+4n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease


J Med Chem 37: 1769-78 (1994)

Checked by Author
Article DOI: 10.1021/jm00038a006
BindingDB Entry DOI: 10.7270/Q2BV7J4D
More data for this
Ligand-Target Pair