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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 = 'BDBM50156143'   
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)
BDBM50156143
PNG
(1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...)
Show SMILES CC(C)[C@H](C)C(=O)NC(=O)[C@H]([O-])[C@H](O)[C@@H](O)[C@@H](Oc1ccc(cc1)C1CCCC(=O)C1=O)C(=O)NC(=O)[C@@H](C)C(C)C
Show InChI InChI=1S/C30H41N2O10/c1-14(2)16(5)27(38)31-29(40)25(37)23(35)24(36)26(30(41)32-28(39)17(6)15(3)4)42-19-12-10-18(11-13-19)20-8-7-9-21(33)22(20)34/h10-17,20,23-26,35-36H,7-9H2,1-6H3,(H,31,38,40)(H,32,39,41)/q-1/t16-,17-,20?,23+,24+,25+,26+/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)
BDBM50156143
PNG
(1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-...)
Show SMILES CC(C)[C@H](C)C(=O)NC(=O)[C@H]([O-])[C@H](O)[C@@H](O)[C@@H](Oc1ccc(cc1)C1CCCC(=O)C1=O)C(=O)NC(=O)[C@@H](C)C(C)C
Show InChI InChI=1S/C30H41N2O10/c1-14(2)16(5)27(38)31-29(40)25(37)23(35)24(36)26(30(41)32-28(39)17(6)15(3)4)42-19-12-10-18(11-13-19)20-8-7-9-21(33)22(20)34/h10-17,20,23-26,35-36H,7-9H2,1-6H3,(H,31,38,40)(H,32,39,41)/q-1/t16-,17-,20?,23+,24+,25+,26+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 17.5n/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