BindingDB logo
myBDB logout

BDBM50282003 (2R,4S)-2-((R)-Benzylcarbamoyl-phenylacetylamino-methyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid ((S)-5-tert-butylcarbamoyl-3-hydroxy-1-isobutyl-pyrrolidin-3-ylmethyl)-amide::CHEMBL289409

SMILES: CC(C)CN1CC(O)(CNC(=O)[C@@H]2N[C@H](SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C[C@H]1C(=O)NC(C)(C)C

InChI Key: InChIKey=DASABZXLSQEQGR-YBBPXBFNSA-N

Data: 1 IC50

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 1 hit for monomerid = 50282003   
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)
BDBM50282003
PNG
((2R,4S)-2-((R)-Benzylcarbamoyl-phenylacetylamino-m...)
Show SMILES CC(C)CN1CC(O)(CNC(=O)[C@@H]2N[C@H](SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C37H54N6O5S/c1-24(2)21-43-23-37(48,19-27(43)31(45)42-35(3,4)5)22-39-33(47)30-36(6,7)49-34(41-30)29(32(46)38-20-26-16-12-9-13-17-26)40-28(44)18-25-14-10-8-11-15-25/h8-17,24,27,29-30,34,41,48H,18-23H2,1-7H3,(H,38,46)(H,39,47)(H,40,44)(H,42,45)/t27-,29+,30-,34+,37?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against HIV-1 proteinase


Bioorg Med Chem Lett 3: 1485-1491 (1993)


Article DOI: 10.1016/S0960-894X(00)80004-9
BindingDB Entry DOI: 10.7270/Q2NV9J5D
More data for this
Ligand-Target Pair