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BDBM50285964 (3aR,6S,7aS)-5-[(2R,3S)-2-Hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl-butyl]-octahydro-thieno[3,2-c]pyridine-6-carboxylic acid tert-butylamide::CHEMBL98096

SMILES: Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C

InChI Key: InChIKey=UOYZVCHWBOUTTL-JBGOKIPCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50285964   
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)
BDBM50285964
PNG
((3aR,6S,7aS)-5-[(2R,3S)-2-Hydroxy-3-(3-hydroxy-2-m...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C30H41N3O4S/c1-19-22(11-8-12-25(19)34)28(36)31-23(15-20-9-6-5-7-10-20)26(35)18-33-17-21-13-14-38-27(21)16-24(33)29(37)32-30(2,3)4/h5-12,21,23-24,26-27,34-35H,13-18H2,1-4H3,(H,31,36)(H,32,37)/t21-,23+,24+,26-,27+/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required against HIV-1 protease


Bioorg Med Chem Lett 5: 2885-2890 (1995)


Article DOI: 10.1016/0960-894X(95)00506-O
BindingDB Entry DOI: 10.7270/Q2930T45
More data for this
Ligand-Target Pair