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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM770'   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM770
PNG
(4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl...)
Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(CC)c2ccccc2)c(=O)o1
Show InChI InChI=1S/C24H26O3/c1-3-18(15-17-11-7-5-8-12-17)22-16-21(25)23(24(26)27-22)20(4-2)19-13-9-6-10-14-19/h5-14,16,18,20,25H,3-4,15H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
38n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibition of human immunodeficiency virus type 1 (HIV-1) Protease


Bioorg Med Chem Lett 8: 1237-42 (1999)


BindingDB Entry DOI: 10.7270/Q2K64H7T
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM770
PNG
(4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl...)
Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(CC)c2ccccc2)c(=O)o1
Show InChI InChI=1S/C24H26O3/c1-3-18(15-17-11-7-5-8-12-17)22-16-21(25)23(24(26)27-22)20(4-2)19-13-9-6-10-14-19/h5-14,16,18,20,25H,3-4,15H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

38n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM770
PNG
(4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl...)
Show SMILES CCC(Cc1ccccc1)c1cc(O)c(C(CC)c2ccccc2)c(=O)o1
Show InChI InChI=1S/C24H26O3/c1-3-18(15-17-11-7-5-8-12-17)22-16-21(25)23(24(26)27-22)20(4-2)19-13-9-6-10-14-19/h5-14,16,18,20,25H,3-4,15H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro inhibition of human immunodeficiency virus type 1 (HIV-1) Protease


Bioorg Med Chem Lett 8: 1237-42 (1999)


BindingDB Entry DOI: 10.7270/Q2K64H7T
More data for this
Ligand-Target Pair