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BDBM50288425 5-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-(2-oxo-2,3-dihydrobenzo[d][1,3]thiazol-5-ylmethyl)-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]-2,3-dihydrobenzo[d][1,3]thiazol-2-one::CHEMBL319509

SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3sc(=O)[nH]c3c2)C(=O)N(Cc2ccc3sc(=O)[nH]c3c2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=RXIFFQTVCNPLFG-CKROWEISSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50288425   
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)
BDBM50288425
PNG
(5-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-(2-oxo-2,3-d...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3sc(=O)[nH]c3c2)C(=O)N(Cc2ccc3sc(=O)[nH]c3c2)[C@@H]1Cc1ccccc1
Show InChI InChI=1S/C35H32N4O5S2/c40-31-27(17-21-7-3-1-4-8-21)38(19-23-11-13-29-25(15-23)36-33(42)45-29)35(44)39(28(32(31)41)18-22-9-5-2-6-10-22)20-24-12-14-30-26(16-24)37-34(43)46-30/h1-16,27-28,31-32,40-41H,17-20H2,(H,36,42)(H,37,43)/t27-,28-,31+,32+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against HIV protease


Bioorg Med Chem Lett 6: 2919-2924 (1996)


Article DOI: 10.1016/S0960-894X(96)00531-8
BindingDB Entry DOI: 10.7270/Q2QF8SVC
More data for this
Ligand-Target Pair