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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 = 'BDBM1198'   
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)
BDBM1198
PNG
(2-Aminobenzyl-Substituted AHPPA deriv. 13 | tert-b...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)NCc1ccccc1
Show InChI InChI=1/C32H41N3O6/c1-32(2,3)41-31(39)35-27(20-23-10-6-4-7-11-23)29(37)28(30(38)34-22-24-12-8-5-9-13-24)33-21-25-14-16-26(17-15-25)40-19-18-36/h4-17,27-29,33,36-37H,18-22H2,1-3H3,(H,34,38)(H,35,39)/t27-,28+,29+/s2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



SANDOZ Forschungsinstitut Ges.m.b.H.

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HIV type 1 protease


J Med Chem 38: 4917-28 (1996)


Article DOI: 10.1021/jm00025a009
BindingDB Entry DOI: 10.7270/Q2FX7BN8
More data for this
Ligand-Target Pair