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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 protease' and Ligand = 'BDBM50156141'   
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)
BDBM50156141
PNG
(5-(4-Bromo-phenoxy)-1,6-bis-(2,3-dimethyl-butyryla...)
Show SMILES CC(C)[C@H](C)C(=O)NC(=O)[C@H]([O-])[C@H](O)[C@@H](O)[C@@H](Oc1ccc(Br)cc1)C(=O)NC(=O)[C@@H](C)C(C)C
Show InChI InChI=1S/C24H34BrN2O8/c1-11(2)13(5)21(31)26-23(33)19(30)17(28)18(29)20(35-16-9-7-15(25)8-10-16)24(34)27-22(32)14(6)12(3)4/h7-14,17-20,28-29H,1-6H3,(H,26,31,33)(H,27,32,34)/q-1/t13-,14-,17+,18+,19+,20+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition constant for human immunodeficiency virus type 1 protease


J Med Chem 47: 5953-61 (2004)


Article DOI: 10.1021/jm0499110
BindingDB Entry DOI: 10.7270/Q2FQ9XDV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50156141
PNG
(5-(4-Bromo-phenoxy)-1,6-bis-(2,3-dimethyl-butyryla...)
Show SMILES CC(C)[C@H](C)C(=O)NC(=O)[C@H]([O-])[C@H](O)[C@@H](O)[C@@H](Oc1ccc(Br)cc1)C(=O)NC(=O)[C@@H](C)C(C)C
Show InChI InChI=1S/C24H34BrN2O8/c1-11(2)13(5)21(31)26-23(33)19(30)17(28)18(29)20(35-16-9-7-15(25)8-10-16)24(34)27-22(32)14(6)12(3)4/h7-14,17-20,28-29H,1-6H3,(H,26,31,33)(H,27,32,34)/q-1/t13-,14-,17+,18+,19+,20+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 21.1n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for human immunodeficiency virus type 1 protease


J Med Chem 47: 5953-61 (2004)


Article DOI: 10.1021/jm0499110
BindingDB Entry DOI: 10.7270/Q2FQ9XDV
More data for this
Ligand-Target Pair