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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 = 'BDBM50076891'   
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)
BDBM50076891
PNG
(CHEMBL278187 | Phenyl-carbamic acid 4,5-diamino-3,...)
Show SMILES NC1C(N)C(OCc2ccccc2)C(COC(=O)Nc2ccccc2)OC1OCc1ccccc1
Show InChI InChI=1/C27H31N3O5/c28-23-24(29)26(33-17-20-12-6-2-7-13-20)35-22(25(23)32-16-19-10-4-1-5-11-19)18-34-27(31)30-21-14-8-3-9-15-21/h1-15,22-26H,16-18,28-29H2,(H,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Biomolecular Engineering Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit hydrolytic activity of recombinant HIV-1 PR (human immunodeficiency virus protease)


Bioorg Med Chem Lett 9: 1179-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00154-7
BindingDB Entry DOI: 10.7270/Q28C9VD1
More data for this
Ligand-Target Pair