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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 = 'BDBM50286701'   
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)
BDBM50286701
PNG
(5-Amino-N-[(1R,2R)-3-(2-tert-butylcarbamoyl-phenyl...)
Show SMILES Cc1ccc(N)cc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H37N3O3S/c1-21-13-15-25(34)19-28(21)31(38)35-29(20-40-26-16-14-22-9-5-6-10-23(22)17-26)30(37)18-24-11-7-8-12-27(24)32(39)36-33(2,3)4/h5-17,19,29-30,37H,18,20,34H2,1-4H3,(H,35,38)(H,36,39)/t29-,30+/m0/s1
PDB
MMDB

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity HIV-1 protease enzyme


Bioorg Med Chem Lett 5: 727-732 (1995)


Article DOI: 10.1016/0960-894X(95)00103-Z
BindingDB Entry DOI: 10.7270/Q29S1R0T
More data for this
Ligand-Target Pair