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BDBM50156155 1,6-Bis-(2,3-dimethyl-butyrylamino)-3,4-dihydroxy-1,6-dioxo-5-(4-phenethyl-phenoxy)-hexan-2-ol anion

SMILES: CC(C)[C@H](C)C(=O)NC(=O)[C@H]([O-])[C@H](O)[C@@H](O)[C@@H](Oc1ccc(CCc2ccccc2)cc1)C(=O)NC(=O)[C@@H](C)C(C)C

InChI Key: InChIKey=BGUPAFHZMIHHTO-LUQFTUDASA-N

Data: 1 KI  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50156155   
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)
BDBM50156155
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(CCc2ccccc2)cc1)C(=O)NC(=O)[C@@H](C)C(C)C
Show InChI InChI=1S/C32H43N2O8/c1-18(2)20(5)29(38)33-31(40)27(37)25(35)26(36)28(32(41)34-30(39)21(6)19(3)4)42-24-16-14-23(15-17-24)13-12-22-10-8-7-9-11-22/h7-11,14-21,25-28,35-36H,12-13H2,1-6H3,(H,33,38,40)(H,34,39,41)/q-1/t20-,21-,25+,26+,27+,28+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.800n/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)
BDBM50156155
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(CCc2ccccc2)cc1)C(=O)NC(=O)[C@@H](C)C(C)C
Show InChI InChI=1S/C32H43N2O8/c1-18(2)20(5)29(38)33-31(40)27(37)25(35)26(36)28(32(41)34-30(39)21(6)19(3)4)42-24-16-14-23(15-17-24)13-12-22-10-8-7-9-11-22/h7-11,14-21,25-28,35-36H,12-13H2,1-6H3,(H,33,38,40)(H,34,39,41)/q-1/t20-,21-,25+,26+,27+,28+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 34.2n/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