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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 = 'BDBM50291052'   
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)
BDBM50291052
PNG
(6-(2-Cyclopropyl-1-cyclopropylmethyl-ethyl)-3-{cyc...)
Show SMILES Cn1ccnc1S(=O)(=O)Cc1cccc(c1)C(C1CC1)c1c(O)cc(oc1=O)C(CC1CC1)CC1CC1
Show InChI InChI=1S/C29H34N2O5S/c1-31-12-11-30-29(31)37(34,35)17-20-3-2-4-22(15-20)26(21-9-10-21)27-24(32)16-25(36-28(27)33)23(13-18-5-6-18)14-19-7-8-19/h2-4,11-12,15-16,18-19,21,23,26,32H,5-10,13-14,17H2,1H3
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
3.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 protease.


Bioorg Med Chem Lett 7: 399-402 (1997)


Article DOI: 10.1016/S0960-894X(97)00031-0
BindingDB Entry DOI: 10.7270/Q21R6QH6
More data for this
Ligand-Target Pair