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Compile Data Set for Download or QSAR

Found 3 hits from Biomolecular Engineering Research Institute   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50076890
PNG
((5-Amino-4-azido-3,6-bis-benzyloxy-tetrahydro-pyra...)
Show SMILES NC1C(OCc2ccccc2)OC(CO)C(OCc2ccccc2)C1N=[N+]=[N-]
Show InChI InChI=1S/C20H24N4O4/c21-17-18(23-24-22)19(26-12-14-7-3-1-4-8-14)16(11-25)28-20(17)27-13-15-9-5-2-6-10-15/h1-10,16-20,25H,11-13,21H2
PDB
MMDB

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

Similars

Article
PubMed
n/an/a>1.00E+3n/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
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=1S/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

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50076889
PNG
((4,5-Diamino-3,6-bis-benzyloxy-tetrahydro-pyran-2-...)
Show SMILES NC1C(N)C(OCc2ccccc2)C(CO)OC1OCc1ccccc1
Show InChI InChI=1S/C20H26N2O4/c21-17-18(22)20(25-13-15-9-5-2-6-10-15)26-16(11-23)19(17)24-12-14-7-3-1-4-8-14/h1-10,16-20,23H,11-13,21-22H2
PDB
MMDB

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

Similars

Article
PubMed
n/an/a 2.05E+5n/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