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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 protease' and Ligand = 'BDBM50006834'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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)
BDBM50006834
PNG
((1-{1-Benzyl-2-hydroxy-3-[1-(2-hydroxy-indan-1-ylc...)
Show SMILES CC(C)(C)OC(=O)NC(CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)CN[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C37H47N5O7/c1-37(2,3)49-36(48)41-29(21-32(38)45)35(47)40-27(18-23-12-6-4-7-13-23)31(44)22-39-28(19-24-14-8-5-9-15-24)34(46)42-33-26-17-11-10-16-25(26)20-30(33)43/h4-17,27-31,33,39,43-44H,18-22H2,1-3H3,(H2,38,45)(H,40,47)(H,41,48)(H,42,46)/t27-,28-,29?,30+,31?,33?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 295n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibition of HIV-Protease, using a peptide hydrolysis assay


J Med Chem 35: 2525-33 (1992)


Article DOI: 10.1021/jm00092a002
BindingDB Entry DOI: 10.7270/Q2PC31C3
More data for this
Ligand-Target Pair